SCHEMBL8920807

SCHEMBL8920807

Cc1cccc(N(C(N)=O)C2CCCC(C3C(C)CCCC3C)N(CC(=O)OC(C)(C)C)C2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.37
PLA2G10 O15496 1/20 0.35
PLA2G5 P39877 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
CXCR4 P61073 1/20 0.31
RAMP1 O60894 3/20 0.31
CALCRL Q16602 3/20 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
SCHEMBL8921392 0.90 PLA2G10 (0.35) CCKBRPLA2G10PLA2G5L3MBTL1OPRM1
SCHEMBL8919489 0.90 L3MBTL1 (0.37) CCKBRPLA2G10PLA2G5L3MBTL1GPR119
SCHEMBL8920349 0.87 RAMP1 (0.42) CCKBRPLA2G10PLA2G5MEN1KMT2A
SCHEMBL8921138 0.84 PLA2G10 (0.45) CCKBRPLA2G10PLA2G5L3MBTL1MEN1
SCHEMBL8920820 0.81 CCKBR (0.40) CCKBRPLA2G10PLA2G5L3MBTL1KMT2A
SCHEMBL8922628 0.80 PLA2G10 (0.35) CCKBRPLA2G10PLA2G5L3MBTL1ALDH1A1
SCHEMBL8921163 0.79 CCKBR (0.38) CCKBRPLA2G10PLA2G5OPRM1MEN1
SCHEMBL8975503 0.79 CCR2 (0.36) PLA2G10PLA2G5OPRM1OPRL1MEN1
SCHEMBL8920178 0.78 CCKBR (0.46) CCKBRPLA2G10PLA2G5
SCHEMBL8921722 0.77 RAMP1 (0.41) CCKBRPLA2G10PLA2G5MAPTRAMP1

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