SCHEMBL1387652

SCHEMBL1387652

CN(C)c1cccc(NC(=O)NC2N=C(c3ncccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.69
CCKAR P32238 2/20 0.69

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
SCHEMBL1387654 1.00 CCKBR (0.69) CCKBRCCKAR
SCHEMBL1574089 0.92 CCKBR (0.82) CCKBRCCKAR
SCHEMBL1574090 0.92 CCKBR (0.82) CCKBRCCKAR
Hydrochloric Acid SCHEMBL8610035 0.92 CCKBR (0.81) CCKBRCCKAR
SCHEMBL1574106 0.91 CCKAR (0.81) CCKBRCCKAR
SCHEMBL1574108 0.91 CCKAR (0.81) CCKBRCCKAR
SCHEMBL1387622 0.90 CCKAR (0.82) CCKBRCCKAR
SCHEMBL1387623 0.90 CCKAR (0.82) CCKBRCCKAR
SCHEMBL8541675 0.89 CCKBR (0.64) CCKBRCCKAR
SCHEMBL8541671 0.89 CCKBR (0.64) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09504005-A 1997-04-22 JP claimed
WO-1995006040-A1 BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-02 WO claimed
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