SCHEMBL8920231

SCHEMBL8920231

NC(=O)N(c1cccc(Cl)c1)C1CC(c2ccccc2)CC(C2CCCCC2)N(CC(=O)OC23CC4CC(CC(C4)C2)C3)C1=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.31
TP53 P04637 4/20 0.31
MDM2 Q00987 4/20 0.31
GRIN2B Q13224 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
SCHEMBL8926039 0.91 DRD2 (0.32) CCKBRTP53
SCHEMBL8919291 0.90 CCKBR (0.32) CCKBR
SCHEMBL8922132 0.89 CCKBR (0.34) CCKBRTP53MDM2GRIN2B
SCHEMBL8922114 0.88 MDM2 (0.32) TP53MDM2GRIN2B
SCHEMBL8921847 0.81 LMNA (0.34)
SCHEMBL8922568 0.80 MAPT (0.32) CCKBRTP53
SCHEMBL8924342 0.80 ALDH1A1 (0.35) TP53
SCHEMBL8920238 0.80 CCKBR (0.47) CCKBR
SCHEMBL8919162 0.80 ALDH1A1 (0.41) CCKBRGRIN2B
SCHEMBL9362772 0.78 HSD11B1 (0.36) 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 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