SCHEMBL6604858

SCHEMBL6604858

COc1ccc(NC(=O)c2sc(-c3ccncc3)nc2C)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.53
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
HTR2C P28335 1/20 0.52
ROCK1 Q13464 2/20 0.48
SLC2A1 P11166 1/20 0.44
GRK5 P34947 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
PPID Q08752 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
SCHEMBL6602805 0.92 MCHR1 (0.62) MCHR1POLBHTR2CSLC2A1
SCHEMBL6602551 0.91 MCHR1 (0.54) MCHR1MAPTHTR2CSLC2A1
SCHEMBL6605510 0.90 MCHR1 (0.67) MCHR1MAPTHTR2C
SCHEMBL7723576 0.89 MAPT (0.53) MCHR1MAPTPOLBROCK1
SCHEMBL6604870 0.88 MAPT (0.52) MCHR1MAPTPOLBHTR2CROCK1
SCHEMBL6603515 0.88 MCHR1 (0.49) MCHR1MAPTPOLBHTR2CSLC2A1
SCHEMBL7728765 0.87 KDM4E (0.57) MCHR1MAPTPOLBHTR2CSLC2A1
SCHEMBL6603148 0.85 MCHR1 (0.65) MCHR1MAPTHTR2C
SCHEMBL6607021 0.84 MCHR1 (0.54) MCHR1MAPTHTR2C
SCHEMBL6604450 0.84 ROCK1 (0.54) MCHR1MAPTPOLBROCK1GRK5

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 4 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 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