SCHEMBL8924391

SCHEMBL8924391

Cc1cccc(N(C(N)=O)C2CC(c3ccccc3)CC(CC3CCCCC3)N(CC(=O)OC(C)(C)C)C2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAMP1 O60894 3/20 0.33
CALCRL Q16602 3/20 0.33
RABGGTB P53611 1/20 0.33
RABGGTA Q92696 1/20 0.33

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
SCHEMBL8920820 0.88 CCKBR (0.40) CCKBRL3MBTL1PLA2G10PLA2G5NPC1
SCHEMBL8922067 0.88 PLA2G10 (0.43) CCKBRPLA2G10PLA2G5
SCHEMBL8920178 0.87 CCKBR (0.46) CCKBRPLA2G10PLA2G5
SCHEMBL8920349 0.83 RAMP1 (0.42) CCKBRPLA2G10PLA2G5NPC1TP53
SCHEMBL8922260 0.81 PLA2G10 (0.39) CCKBRPLA2G10PLA2G5RAMP1CALCRL
SCHEMBL8921138 0.80 PLA2G10 (0.45) CCKBRL3MBTL1PLA2G10PLA2G5MAPT
SCHEMBL8921199 0.79 PLA2G10 (0.42) CCKBRPLA2G10PLA2G5TP53MAPT
SCHEMBL8919489 0.79 L3MBTL1 (0.37) CCKBRL3MBTL1PLA2G10PLA2G5MAPT
SCHEMBL8924396 0.79 CCKBR (0.59) CCKBR
SCHEMBL8920687 0.79 CCKBR (0.38) CCKBRPLA2G10PLA2G5KMT2ARAMP1

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