SCHEMBL6602519

SCHEMBL6602519

COc1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)s2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.56
HTR2C P28335 1/20 0.56
SLC2A1 P11166 1/20 0.47
WNT3A P56704 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL6603163 0.89 MCHR1 (0.55) MCHR1HTR2CWNT3AMAPT
SCHEMBL6602522 0.88 MCHR1 (0.48) MCHR1HTR2CWNT3AMAPT
SCHEMBL6602551 0.85 MCHR1 (0.54) MCHR1HTR2CSLC2A1MAPT
SCHEMBL7067789 0.79 MCHR1 (0.66) MCHR1HTR2CSLC2A1
SCHEMBL6569338 0.79 MCHR1 (0.74) MCHR1HTR2CSLC2A1
SCHEMBL6892149 0.78 MCHR1 (0.65) MCHR1HTR2C
SCHEMBL6609564 0.78 MCHR1 (0.73) MCHR1HTR2CSLC2A1
SCHEMBL6604490 0.78 MCHR1 (0.64) MCHR1HTR2CMAPT
SCHEMBL6605095 0.78 MCHR1 (0.67) MCHR1HTR2CSLC2A1MAPT
SCHEMBL6570697 0.78 MCHR1 (0.67) MCHR1HTR2CMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP claimed
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 WO claimed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP claimed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed