SCHEMBL6180308

SCHEMBL6180308

Cc1cccc(NC(=O)NC2CN(C(=O)C3CCCCC3)c3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.69
CCKAR P32238 2/20 0.48

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
SCHEMBL6178530 0.85 CYP3A4 (0.55) CCKBRCCKAR
SCHEMBL6178680 0.84 CYP3A4 (0.56) CCKBRCCKAR
SCHEMBL6178045 0.81 CYP3A4 (0.57) CCKBRCCKAR
SCHEMBL7467452 0.81 CCKBR (0.71) CCKBRCCKAR
SCHEMBL6178847 0.81 CCKBR (0.51) CCKBRCCKAR
SCHEMBL6181018 0.79 CCKBR (0.43) CCKBR
SCHEMBL8903002 0.79 CCKBR (0.72) CCKBR
SCHEMBL6177141 0.79 CCKBR (0.56) CCKBRCCKAR
SCHEMBL8903211 0.79 CCKBR (0.72) CCKBR
SCHEMBL6179974 0.79 CCKBR (0.58) 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