SCHEMBL8796256

SCHEMBL8796256

COc1ccc(N(C(=O)CN2C(=O)C(NC(=O)OCc3ccccc3)N=C(C3CCCCC3)c3ccccc32)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.48
MC1R Q01726 2/20 0.48
CCKBR P32239 9/20 0.46
CCKAR P32238 8/20 0.46
SENP1 Q9P0U3 1/20 0.44
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
OXTR P30559 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BDKRB1 P46663 1/20 0.40

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
SCHEMBL8797563 0.84 MC4R (0.47) MC4RMC1RCCKBRCCKARALDH1A1
SCHEMBL8795334 0.82 SENP1 (0.54) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL9302112 0.82 SENP1 (0.53) CCKBRSENP1BRD4BRD2BRD3
SCHEMBL9008787 0.82 SENP1 (0.53) CCKBRSENP1BRD4BRD2BRD3
SCHEMBL9301274 0.82 SENP1 (0.53) CCKBRSENP1BRD4BRD2BRD3
SCHEMBL9008789 0.82 SENP1 (0.53) CCKBRSENP1BRD4BRD2BRD3
SCHEMBL9008788 0.82 SENP1 (0.53) CCKBRSENP1BRD4BRD2BRD3
SCHEMBL9302105 0.82 SENP1 (0.53) CCKBRSENP1BRD4BRD2BRD3
SCHEMBL8798046 0.81 SENP1 (0.52) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL9303317 0.80 SENP1 (0.56) CCKBRSENP1BRD4BRD2BRD3

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
EP-0755394-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
WO-1995028399-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed