SCHEMBL8920689

SCHEMBL8920689

CC(C)(C)CC(=O)NN1C(=O)[C@H](N(C(N)=O)c2cccc(Cl)c2)C[C@H](c2ccccc2)CC1c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.37
MDM2 Q00987 6/20 0.35
TP53 P04637 4/20 0.35

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
SCHEMBL8920699 1.00 CCKBR (0.37) CCKBRMDM2TP53
SCHEMBL8919265 0.98 CCKBR (0.38) CCKBR
SCHEMBL8921428 0.95 CCKBR (0.42) CCKBR
SCHEMBL8921431 0.95 CCKBR (0.42) CCKBR
SCHEMBL8922772 0.94 CCKBR (0.42) CCKBR
SCHEMBL8922777 0.94 CCKBR (0.42) CCKBR
SCHEMBL8920335 0.93 CCKBR (0.35) CCKBR
SCHEMBL8920329 0.93 CCKBR (0.35) CCKBR
SCHEMBL8919468 0.92 CCKBR (0.43) CCKBR
SCHEMBL8919461 0.92 CCKBR (0.43) 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 2 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
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO disclosed