Arena Pharmaceuticals, Inc.

Other

Tripos, Inc.

Qian Liu

Derek T Chalmers

Chen Wang Liaw

Dominic P Behan

Joseph F Russo

William J Thomsen

Robert C Glen

Richard J Foster

Michael S Lawless

Julian R Smith

Richard D Cramer

Nigel R Beeley

Robert Jilek

Stephan Guessregen

Bernd Wendt

Katherine M Andrews

Heterogeneous compound databases can be searched for compounds which are likely to have the same biological activity as a known (query) molecule. Query molecules and the molecules in the database are split into fragments according to common fragmentation rules. Fragments are aligned in a uniform conformation according to a topomeric alignment process and interaction energy fields, typically steric fields, between a probe and the fragment atoms are generated to capture the fragment shapes. Comparison of the fields for the query fragments with the fields for the database compound fragments yields a measure of shape similarity. Searches for similarly shaped substructures and cores can also be readily accomplished. Pharmacophoric style features can be defined for the topomerically aligned fragments but with user specified weighting of the importance of each. Differences in features are defined with the same dimensionality as shape so that both shape and features can be used to search.

Method for searching heterogeneous compound databases using topomeric shape descriptors and pharmacophoric features

Disclosed herein are non-endogenous, constitutively activated forms of the human 5-HT.sub.2A and human 5-HT.sub.2C receptors and uses of such receptors to screen candidate compounds. Further disclosed herein are candidate compounds identified by the screening method which act at the 5HT.sub.2A receptors. Yet further disclosed is a new class of compounds which act at the 5HT.sub.2A receptors.

Small molecule modulators of non-endogenous, constitutively activated

A compound of formula (C) useful as a serotonin receptor modulator

Non-endogenous, constitutively activated human serotonin receptors and

Disclosed herein is a new class of pyrazole compounds which act at the 5HT.sub.2A receptors.

5-HT2A receptor inverse agonists

Growing community of inventors

Ballwin, MO, United States of America

Qian Liu