SCHEMBL8921392

SCHEMBL8921392

CC1CCCC(C)C1C1CCCC(N(C(N)=O)c2cccc(Cl)c2)C(=O)N1CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.35
PLA2G5 P39877 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CCKBR P32239 2/20 0.33
TP53 P04637 3/20 0.33
MDM2 Q00987 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GHSR Q92847 2/20 0.32
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
TACR1 P25103 1/20 0.32
STS P08842 1/20 0.31

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
SCHEMBL8920807 0.90 CCKBR (0.37) PLA2G10PLA2G5ALDH1A1CCKBRL3MBTL1
SCHEMBL8922628 0.90 PLA2G10 (0.35) PLA2G10PLA2G5ALDH1A1CCKBRTP53
SCHEMBL8921722 0.87 RAMP1 (0.41) PLA2G10PLA2G5CCKBRTP53MDM2
SCHEMBL8919489 0.80 L3MBTL1 (0.37) PLA2G10PLA2G5ALDH1A1CCKBRL3MBTL1
SCHEMBL8923886 0.79 CCKBR (0.42) PLA2G10PLA2G5CCKBRTP53MDM2
SCHEMBL8921163 0.79 CCKBR (0.38) PLA2G10PLA2G5ALDH1A1CCKBRTP53
SCHEMBL8975503 0.78 CCR2 (0.36) PLA2G10PLA2G5ALDH1A1OPRM1OPRL1
SCHEMBL8920349 0.77 RAMP1 (0.42) PLA2G10PLA2G5ALDH1A1CCKBRTP53
SCHEMBL8920743 0.76 RAMP1 (0.41) PLA2G10PLA2G5ALDH1A1CCKBRGHSR
SCHEMBL8921199 0.76 PLA2G10 (0.42) PLA2G10PLA2G5ALDH1A1CCKBRTP53

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
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