SCHEMBL6176540

SCHEMBL6176540

CCOC(=O)CSc1cccc(NC(=O)NC2CN(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.46
CCKAR P32238 3/20 0.46

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
SCHEMBL6176572 0.92 CCKBR (0.50) CCKBRCCKAR
SCHEMBL6176527 0.86 CCKBR (0.49) CCKBRCCKAR
SCHEMBL6178421 0.85 CCKBR (0.51) CCKBR
SCHEMBL6177764 0.84 CCKAR (0.59) CCKBRCCKAR
SCHEMBL6179105 0.84 CCKBR (0.43) CCKBRCCKAR
SCHEMBL542390 0.83 CCKBR (0.49) CCKBRCCKAR
SCHEMBL6176921 0.83 CCKBR (0.54) CCKBRCCKAR
SCHEMBL542264 0.83 CCKBR (0.48) CCKBRCCKAR
SCHEMBL6825346 0.82 CCKBR (0.52) CCKBRCCKAR
SCHEMBL6177526 0.82 CCKBR (0.52) 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-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed