SCHEMBL1387622

SCHEMBL1387622

Cc1cccc(NC(=O)NC2N=C(c3ncccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 3/20 0.82
CCKBR P32239 3/20 0.72

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
SCHEMBL1387623 1.00 CCKAR (0.82) CCKARCCKBR
SCHEMBL1574231 0.92 CCKBR (0.85) CCKARCCKBR
SCHEMBL1574452 0.92 CCKBR (0.85) CCKARCCKBR
SCHEMBL1574047 0.90 CCKAR (1.00) CCKARCCKBR
SCHEMBL1574046 0.90 CCKAR (1.00) CCKARCCKBR
SCHEMBL1387652 0.90 CCKBR (0.69) CCKARCCKBR
SCHEMBL1387654 0.90 CCKBR (0.69) CCKARCCKBR
SCHEMBL1574493 0.89 CCKAR (0.92) CCKARCCKBR
SCHEMBL1574495 0.89 CCKAR (0.92) CCKARCCKBR
SCHEMBL1387792 0.89 CCKAR (0.77) CCKARCCKBR

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