SCHEMBL6176549

SCHEMBL6176549

CCOC(=O)Cc1ccsc1NC(=O)NC1CN(c2ccccc2)c2ccccc2N(CC(=O)C(C)(C)C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.37
CCKAR P32238 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6176578 0.92 CCKBR (0.43) CCKBRALDH1A1
SCHEMBL6178425 0.84 CCKBR (0.44) CCKBR
SCHEMBL542390 0.81 CCKBR (0.49) CCKBRCCKAR
SCHEMBL542264 0.80 CCKBR (0.48) CCKBRCCKAR
SCHEMBL6176527 0.80 CCKBR (0.49) CCKBRCCKAR
SCHEMBL6176540 0.79 CCKBR (0.46) CCKBRCCKAR
SCHEMBL6175436 0.79 CYP3A4 (0.36) CCKBRALDH1A1KMT2A
SCHEMBL6179105 0.78 CCKBR (0.43) CCKBRCCKAR
SCHEMBL6179065 0.77 CCKBR (0.43) CCKBRCCKAR
SCHEMBL6179067 0.77 CCKBR (0.43) 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