SCHEMBL8795334

SCHEMBL8795334

COc1ccc(N(C(=O)CN2C(=O)C(NC(=O)OCc3ccccc3)N=C(c3cccnc3)c3ccccc32)C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 3/20 0.54
BRD4 O60885 5/20 0.50
BRD2 P25440 5/20 0.50
BRD3 Q15059 5/20 0.50
CCKBR P32239 7/20 0.47
SCN9A Q15858 2/20 0.46
CCKAR P32238 2/20 0.45
OXTR P30559 1/20 0.43

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
SCHEMBL8797803 0.88 CCKBR (0.60) CCKBRCCKAR
Bromide SCHEMBL8795680 0.83 CCKAR (0.45) CCKBRCCKAR
SCHEMBL8797565 0.83 CCKAR (0.48) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL8796256 0.82 MC4R (0.48) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL8798046 0.80 SENP1 (0.52) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL6941752 0.80 SENP1 (0.61) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL6941747 0.80 SENP1 (0.61) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL8610939 0.79 SENP1 (0.70) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL8241250 0.78 SCN9A (0.67) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL1574634 0.77 SENP1 (0.73) SENP1BRD4BRD2BRD3CCKBR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586405-B1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF LILLY GMBH (DE) 1997-09-10 EP disclosed
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
EP-0586405-A1 NOVEL 2H-BENZO b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS. BEIERSDORF LILLY GMBH (DE) 1994-03-16 EP disclosed
WO-1992020671-A1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF-LILLY GMBH (DE) 1992-11-26 WO disclosed