SCHEMBL8921199

SCHEMBL8921199

CC(C)(C)OC(=O)CN1C(=O)C(N(C(N)=O)c2cccc(Cl)c2)CC(c2ccccc2)CC1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.42
PLA2G5 P39877 1/20 0.42
CCKBR P32239 3/20 0.40
MDM2 Q00987 9/20 0.35
TP53 P04637 8/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CETP P11597 1/20 0.34
HSD17B2 P37059 1/20 0.33
MDM4 O15151 1/20 0.32

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
SCHEMBL8922067 0.91 PLA2G10 (0.43) PLA2G10PLA2G5CCKBRCETP
SCHEMBL8923398 0.90 PLA2G10 (0.42) PLA2G10PLA2G5CCKBRMAPTCETP
SCHEMBL8923886 0.90 CCKBR (0.42) PLA2G10PLA2G5CCKBRMDM2TP53
SCHEMBL8921722 0.83 RAMP1 (0.41) PLA2G10PLA2G5CCKBRMDM2TP53
SCHEMBL8920178 0.80 CCKBR (0.46) PLA2G10PLA2G5CCKBR
SCHEMBL8924391 0.79 CCKBR (0.39) PLA2G10PLA2G5CCKBRTP53MAPT
SCHEMBL8922606 0.79 CCKBR (0.40) PLA2G10PLA2G5CCKBR
SCHEMBL8921138 0.79 PLA2G10 (0.45) PLA2G10PLA2G5CCKBRMAPTALDH1A1
SCHEMBL8921204 0.78 CCKBR (0.60) CCKBR
SCHEMBL8919257 0.77 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 3 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
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