SCHEMBL6176407

SCHEMBL6176407

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

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.54
CCKAR P32238 2/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL6176788 0.88 CCKBR (0.49) CCKBR
SCHEMBL6178211 0.87 CCKBR (0.52) CCKBRCCKAR
SCHEMBL6179274 0.87 CCKBR (0.52) CCKBRCCKAR
SCHEMBL6179974 0.84 CCKBR (0.58) CCKBRCCKAR
SCHEMBL6180216 0.82 CCKBR (0.50) CCKBRCCKAR
SCHEMBL6176974 0.82 CCKBR (0.53) CCKBRCCKAR
SCHEMBL6177839 0.82 CCKBR (0.48) CCKBRCCKAR
Hydrochloric Acid SCHEMBL6179083 0.82 CCKBR (0.49) CCKBRCCKAR
SCHEMBL6177282 0.81 CCKBR (0.48) CCKBRCCKAR
SCHEMBL6176695 0.80 CCKBR (0.51) 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