SCHEMBL8922642

SCHEMBL8922642

COc1ccccc1NC(=O)NC1CC(c2ccccc2)CC(c2cccc(C)c2)N(NC(=O)CC(C)(C)C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.56
GRIN2B Q13224 1/20 0.43

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
SCHEMBL8921193 0.92 CCKBR (0.48) CCKBRGRIN2B
SCHEMBL8921243 0.92 CCKBR (0.54) CCKBR
SCHEMBL8919458 0.90 CCKBR (0.57) CCKBR
SCHEMBL8920626 0.90 CCKBR (0.52) CCKBR
SCHEMBL8922472 0.89 CCKBR (0.47) CCKBR
SCHEMBL8922427 0.88 CCKBR (0.45) CCKBR
SCHEMBL8922819 0.87 CCKBR (0.64) CCKBR
SCHEMBL8921455 0.85 CCKBR (0.47) CCKBR
SCHEMBL8919501 0.84 CCKBR (0.53) CCKBR
SCHEMBL8922613 0.84 CCKBR (0.54) CCKBR

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
US-5643904-A Substituted hexahdryoazepinones and tetrahydrobenzazepinones PFIZER INC. (US) 1997-07-01 US disclosed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO disclosed