SCHEMBL8545456

SCHEMBL8545456

CC(C)(C)C(=O)CC1N=C(c2cnccn2)c2ccccc2N(NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 3/20 0.42
SCN9A Q15858 2/20 0.40
BRD4 O60885 4/20 0.37
BRD2 P25440 4/20 0.37
BRD3 Q15059 4/20 0.37
HDAC3 O15379 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CCKBR P32239 4/20 0.36
CCKAR P32238 1/20 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
SCHEMBL8550605 0.86 SENP1 (0.42) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL8548008 0.84 SENP1 (0.42) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL8609577 0.81 SENP1 (0.43) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL8544162 0.79 CCKBR (0.39) SCN9AHDAC3HDAC6HDAC1HDAC8
SCHEMBL8545459 0.79 SENP1 (0.57) SENP1CCKBRCCKAR
SCHEMBL8606948 0.79 SENP1 (0.57) SENP1CCKBRCCKAR
SCHEMBL8548839 0.79 SENP1 (0.41) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL8542158 0.79 CYP3A4 (0.39) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL8547519 0.78 SENP1 (0.40) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL8544165 0.69 CCKBR (0.50) CCKBRCCKAR

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
EP-0715624-B1 PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMA CO LTD (JP) 1998-04-08 EP disclosed
US-5728829-A MULTISTAGE REACTION OF N-PROTECTED BENZOTRIAZOLYL GLYCINE DERIVATIVE WITH AMINOKETONE, THEN REACTION WITH AMMONIA AND ACID CATALYZED CYCLIZATION FERRING-RESEARCH LIMITED (GB) 1998-03-17 US disclosed
EP-0715624-A1 PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-06-12 EP disclosed
WO-1995006040-A1 BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-02 WO disclosed