SCHEMBL8922647

SCHEMBL8922647

COc1cccc(N(C(N)=O)C2CC(c3ccccc3)CC(c3cccc(C)c3)N(NC(=O)CC(C)(C)C)C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.42
GRIN2B Q13224 1/20 0.35
OPRM1 P35372 1/20 0.35
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8922643 1.00 CCKBR (0.42) CCKBRGRIN2BOPRM1MTNR1AMTNR1B
SCHEMBL8922608 0.97 CCKBR (0.40) CCKBRGRIN2B
SCHEMBL8922602 0.97 CCKBR (0.40) CCKBRGRIN2B
SCHEMBL8921200 0.95 GRIN2B (0.37) CCKBRGRIN2BOPRM1MTNR1AMTNR1B
SCHEMBL8921207 0.95 GRIN2B (0.37) CCKBRGRIN2BOPRM1MTNR1AMTNR1B
SCHEMBL8919398 0.95 GRIN2B (0.38) CCKBRGRIN2BOPRM1MTNR1AMTNR1B
SCHEMBL8919393 0.95 GRIN2B (0.38) CCKBRGRIN2BOPRM1MTNR1AMTNR1B
SCHEMBL8922831 0.94 CCKBR (0.41) CCKBRGRIN2BOPRM1MTNR1AMTNR1B
SCHEMBL8922834 0.94 CCKBR (0.41) CCKBRGRIN2BOPRM1MTNR1AMTNR1B
SCHEMBL8922801 0.93 CCKBR (0.46) 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 3 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
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