SCHEMBL6176572

SCHEMBL6176572

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

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.50
CCKAR P32238 3/20 0.47
NPY1R P25929 1/20 0.44

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
SCHEMBL6176540 0.92 CCKBR (0.46) CCKBRCCKAR
SCHEMBL6178421 0.89 CCKBR (0.51) CCKBRNPY1R
SCHEMBL6179060 0.86 CCKBR (0.53) CCKBRCCKARNPY1R
SCHEMBL542390 0.84 CCKBR (0.49) CCKBRCCKAR
SCHEMBL6177764 0.83 CCKAR (0.59) CCKBRCCKAR
SCHEMBL6176921 0.83 CCKBR (0.54) CCKBRCCKAR
SCHEMBL542264 0.83 CCKBR (0.48) CCKBRCCKAR
SCHEMBL7661388 0.83 CCKAR (0.47) CCKBRCCKAR
SCHEMBL7653390 0.83 CCKAR (0.47) CCKBRCCKAR
SCHEMBL6179147 0.83 CCKBR (0.47) CCKBRCCKARNPY1R

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