SCHEMBL6177764

SCHEMBL6177764

Cc1cccc(NC(=O)NC2CN(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 3/20 0.59
CCKBR P32239 9/20 0.58

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
SCHEMBL542390 0.92 CCKBR (0.49) CCKARCCKBR
SCHEMBL6176921 0.91 CCKBR (0.54) CCKARCCKBR
SCHEMBL542264 0.91 CCKBR (0.48) CCKARCCKBR
SCHEMBL6825346 0.90 CCKBR (0.52) CCKARCCKBR
SCHEMBL6177526 0.90 CCKBR (0.52) CCKARCCKBR
SCHEMBL1394657 0.90 CCKBR (0.51) CCKARCCKBR
Water SCHEMBL1394815 0.90 CCKBR (0.51) CCKARCCKBR
SCHEMBL7661388 0.89 CCKAR (0.47) CCKARCCKBR
SCHEMBL7653390 0.89 CCKAR (0.47) CCKARCCKBR
SCHEMBL6175868 0.88 CCKBR (0.58) CCKARCCKBR

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