SCHEMBL8920743

SCHEMBL8920743

COc1cccc(N(C(N)=O)C2CCCC(c3ccccc3)N(CC(=O)OC(C)(C)C)C2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAMP1 O60894 3/20 0.41
CALCRL Q16602 3/20 0.41
CCKBR P32239 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
OPRM1 P35372 2/20 0.39
PLA2G10 O15496 1/20 0.38
PLA2G5 P39877 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
ACHE P22303 1/20 0.37
GHSR Q92847 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGIR P43119 1/20 0.35
PTGDR Q13258 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL8922606 0.90 CCKBR (0.40) RAMP1CALCRLCCKBROPRM1PLA2G10
SCHEMBL8920349 0.90 RAMP1 (0.42) RAMP1CALCRLCCKBRPLA2G10PLA2G5
SCHEMBL8921722 0.89 RAMP1 (0.41) RAMP1CALCRLCCKBRPLA2G10PLA2G5
SCHEMBL8921163 0.87 CCKBR (0.38) CCKBRMTNR1AMTNR1BOPRM1PLA2G10
SCHEMBL8920687 0.85 CCKBR (0.38) RAMP1CALCRLCCKBRMTNR1AMTNR1B
SCHEMBL8923398 0.83 PLA2G10 (0.42) CCKBROPRM1PLA2G10PLA2G5ACHE
SCHEMBL8920178 0.79 CCKBR (0.46) CCKBRPLA2G10PLA2G5
SCHEMBL8923886 0.79 CCKBR (0.42) RAMP1CALCRLCCKBRPLA2G10PLA2G5
SCHEMBL8922121 0.78 ALDH1A1 (0.39) CCKBRUTS2RKMT2AALDH1A1PTGIR
SCHEMBL8921138 0.78 PLA2G10 (0.45) RAMP1CALCRLCCKBRPLA2G10PLA2G5

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