SCHEMBL8548959

SCHEMBL8548959

CN(C)c1cccc(NC(=O)NC2N=C(c3cc[nH]n3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.64
CCKAR P32238 2/20 0.64

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
SCHEMBL8548960 1.00 CCKBR (0.64) CCKBRCCKAR
SCHEMBL1387667 0.90 CCKAR (0.77) CCKBRCCKAR
SCHEMBL1387668 0.90 CCKAR (0.77) CCKBRCCKAR
SCHEMBL27480554 0.88 CCKBR (0.64) CCKBRCCKAR
SCHEMBL1574090 0.88 CCKBR (0.82) CCKBRCCKAR
SCHEMBL1574089 0.88 CCKBR (0.82) CCKBRCCKAR
SCHEMBL1574108 0.88 CCKAR (0.81) CCKBRCCKAR
SCHEMBL1574106 0.88 CCKAR (0.81) CCKBRCCKAR
SCHEMBL1387599 0.88 CCKBR (0.65) CCKBRCCKAR
SCHEMBL1387598 0.88 CCKBR (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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