SCHEMBL8922472

SCHEMBL8922472

COc1ccccc1NC(=O)NC1CC(c2ccccc2)CC(c2ccc(Cl)cc2)N(NC(=O)CC(C)(C)C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.47
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL8920626 0.93 CCKBR (0.52) CCKBR
SCHEMBL8922427 0.91 CCKBR (0.45) CCKBR
SCHEMBL8922642 0.89 CCKBR (0.56) CCKBR
SCHEMBL8921193 0.89 CCKBR (0.48) CCKBR
SCHEMBL8921243 0.88 CCKBR (0.54) CCKBRMAPT
SCHEMBL8920183 0.87 CCKBR (0.60) CCKBR
SCHEMBL8921420 0.86 CCKBR (0.52) CCKBR
SCHEMBL8922785 0.85 CCKBR (0.58) CCKBR
SCHEMBL8921455 0.85 CCKBR (0.47) CCKBRTSHR
SCHEMBL8919501 0.84 CCKBR (0.53) 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