SCHEMBL6176578

SCHEMBL6176578

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.43
NPY1R P25929 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL6176549 0.92 CCKBR (0.37) CCKBRALDH1A1
SCHEMBL6178425 0.88 CCKBR (0.44) CCKBRNPY1R
SCHEMBL6179067 0.85 CCKBR (0.43) CCKBRNPY1R
SCHEMBL6179065 0.85 CCKBR (0.43) CCKBRNPY1R
SCHEMBL542390 0.81 CCKBR (0.49) CCKBR
SCHEMBL542264 0.81 CCKBR (0.48) CCKBR
SCHEMBL6176572 0.79 CCKBR (0.50) CCKBRNPY1R
SCHEMBL8310370 0.78 CCKBR (0.40) CCKBRNPY1R
SCHEMBL6180592 0.78 CCKBR (0.46) CCKBRNPY1R
SCHEMBL6180595 0.78 CCKBR (0.46) CCKBRNPY1R

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