SCHEMBL8922606

SCHEMBL8922606

COc1cccc(N(C(N)=O)C2CC(c3ccccc3)CC(c3ccccc3)N(CC(=O)OC(C)(C)C)C2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.40
PLA2G10 O15496 1/20 0.37
PLA2G5 P39877 1/20 0.37
GRIN2B Q13224 2/20 0.37
OPRM1 P35372 1/20 0.36
RAMP1 O60894 3/20 0.35
CALCRL Q16602 3/20 0.35

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
SCHEMBL8920178 0.90 CCKBR (0.46) CCKBRPLA2G10PLA2G5
SCHEMBL8920743 0.90 RAMP1 (0.41) CCKBRPLA2G10PLA2G5OPRM1RAMP1
SCHEMBL8923398 0.90 PLA2G10 (0.42) CCKBRPLA2G10PLA2G5GRIN2BOPRM1
SCHEMBL8923886 0.89 CCKBR (0.42) CCKBRPLA2G10PLA2G5RAMP1CALCRL
SCHEMBL8920687 0.88 CCKBR (0.38) CCKBRPLA2G10PLA2G5GRIN2BOPRM1
SCHEMBL8921102 0.88 CCKBR (0.51) CCKBR
SCHEMBL8919398 0.82 GRIN2B (0.38) CCKBRGRIN2BOPRM1
SCHEMBL8919393 0.82 GRIN2B (0.38) CCKBRGRIN2BOPRM1
SCHEMBL8975223 0.81 CCKBR (0.55) CCKBR
SCHEMBL9362255 0.81 GRIN2B (0.37) CCKBRGRIN2BOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625145-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1994-11-23 EP claimed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO claimed
US-5643904-A Substituted hexahdryoazepinones and tetrahydrobenzazepinones PFIZER INC. (US) 1997-07-01 US disclosed
US-5484917-A FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY PFIZER INC. (US) 1996-01-16 US disclosed
EP-0625145-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1994-11-23 EP 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