SCHEMBL8548839

SCHEMBL8548839

CC(C)(C)C(=O)CC1N=C(c2ccn(COCC[Si](C)(C)C)n2)c2ccccc2N(NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 3/20 0.41
SCN9A Q15858 3/20 0.37
BRD4 O60885 7/20 0.35
BRD2 P25440 7/20 0.35
BRD3 Q15059 7/20 0.35
CCKBR P32239 6/20 0.34
CCKAR P32238 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL8547519 0.85 SENP1 (0.40) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL8548843 0.82 SENP1 (0.54) SENP1CCKBRCCKAR
SCHEMBL8550605 0.79 SENP1 (0.42) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL8545456 0.79 SENP1 (0.42) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL8609577 0.76 SENP1 (0.43) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL8548008 0.76 SENP1 (0.42) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL8547522 0.69 SENP1 (0.53) SENP1CCKBRCCKAR
SCHEMBL9057299 0.68 SENP1 (0.51) SENP1CCKBRCCKAR
SCHEMBL9592502 0.62 SENP1 (0.68) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL1574343 0.62 SENP1 (0.75) SENP1SCN9ABRD4BRD2BRD3

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
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
WO-1995006040-A1 BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-02 WO disclosed