SCHEMBL8545459

SCHEMBL8545459

CC(C)(C)C(=O)CN1C(=O)C(NC(=O)OCc2ccccc2)N=C(c2cnccn2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 2/20 0.57
CCKBR P32239 2/20 0.54
CCKAR P32238 2/20 0.54

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
SCHEMBL8606948 1.00 SENP1 (0.57) SENP1CCKBRCCKAR
SCHEMBL1574340 0.87 SENP1 (0.75) SENP1CCKBRCCKAR
SCHEMBL1574343 0.87 SENP1 (0.75) SENP1CCKBRCCKAR
SCHEMBL8550608 0.86 SENP1 (0.58) SENP1CCKBRCCKAR
SCHEMBL8548014 0.84 SENP1 (0.57) SENP1CCKBRCCKAR
SCHEMBL1574511 0.84 SENP1 (0.68) SENP1CCKBRCCKAR
SCHEMBL1574507 0.84 SENP1 (0.68) SENP1CCKBRCCKAR
SCHEMBL8556281 0.83 SENP1 (0.59) SENP1CCKBRCCKAR
SCHEMBL8544616 0.82 CCKBR (0.67) CCKBRCCKAR
SCHEMBL8609581 0.82 SENP1 (0.56) SENP1CCKBRCCKAR

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