SCHEMBL6178091

SCHEMBL6178091

CN(C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)CN(C2CCCCC2)c2ccccc21)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.54
CCKAR P32238 6/20 0.54

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
SCHEMBL6177891 0.92 CCKBR (0.48) CCKBRCCKAR
SCHEMBL6176264 0.88 CCKBR (0.53) CCKBRCCKAR
SCHEMBL29645924 0.87 CCKBR (0.54) CCKBRCCKAR
SCHEMBL1556431 0.87 CCKBR (0.54) CCKBRCCKAR
SCHEMBL1556430 0.87 CCKBR (0.54) CCKBRCCKAR
SCHEMBL6177344 0.87 CCKBR (0.54) CCKBRCCKAR
SCHEMBL6177296 0.87 CCKBR (0.54) CCKBRCCKAR
SCHEMBL19949394 0.87 CCKBR (0.54) CCKBRCCKAR
Water SCHEMBL1394819 0.86 CCKBR (0.53) CCKBRCCKAR
Water SCHEMBL29806115 0.86 CCKBR (0.53) 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