SCHEMBL3948532

SCHEMBL3948532

COc1cccc(CCNCC(=O)Nc2ccc(OC)c(-c3c(Br)cnn3C)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.62
HTR2C P28335 20/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4036638 0.92 HTR2A (0.64) HTR2AHTR2C
SCHEMBL3944946 0.91 HTR2A (0.62) HTR2AHTR2C
SCHEMBL4036483 0.87 HTR2A (0.66) HTR2AHTR2C
SCHEMBL3953998 0.86 HTR2A (0.72) HTR2AHTR2C
SCHEMBL3948519 0.84 HTR2A (0.72) HTR2AHTR2C
SCHEMBL4039151 0.83 HTR2A (0.67) HTR2AHTR2C
SCHEMBL3949294 0.83 HTR2A (0.71) HTR2AHTR2C
SCHEMBL5056285 0.82 HTR2A (0.83) HTR2AHTR2C
SCHEMBL29573693 0.82 HTR2A (0.83) HTR2AHTR2C
SCHEMBL3949327 0.82 HTR2A (0.70) HTR2AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP disclosed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed