SCHEMBL1387612

SCHEMBL1387612

CNc1ccccc1NC(=O)N[C@@H]1N=C(c2ccccn2)c2ccccc2N(CC(=O)C(C)(C)C)C1=O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.78
CCKAR P32238 2/20 0.78

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
SCHEMBL8546060 0.90 CCKBR (0.70) CCKBRCCKAR
Netazepide SCHEMBL1387611 0.88 CCKBR (1.00) CCKBRCCKAR
Netazepide SCHEMBL29422544 0.88 CCKBR (1.00) CCKBRCCKAR
Netazepide SCHEMBL30824458 0.88 CCKBR (1.00) CCKBRCCKAR
Netazepide SCHEMBL1574251 0.88 CCKBR (1.00) CCKBRCCKAR
Netazepide SCHEMBL31616255 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8545865 0.85 CCKBR (0.67) CCKBRCCKAR
SCHEMBL1574231 0.85 CCKBR (0.85) CCKBRCCKAR
SCHEMBL1574452 0.85 CCKBR (0.85) CCKBRCCKAR
SCHEMBL8634832 0.84 CCKBR (0.84) 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 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 claimed
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