SCHEMBL6179633

SCHEMBL6179633

CCOC(=O)c1cccc(NC(=O)NC2CN(C3CCCCC3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.60

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
SCHEMBL6177552 0.91 CCKBR (0.49) CCKBR
SCHEMBL6176235 0.90 CCKBR (0.65) CCKBR
SCHEMBL6177891 0.86 CCKBR (0.48) CCKBR
SCHEMBL6180432 0.85 CCKBR (0.54) CCKBR
SCHEMBL6178565 0.83 CCKBR (0.49) CCKBR
SCHEMBL6177809 0.83 CCKBR (0.49) CCKBR
SCHEMBL6180505 0.83 CCKBR (0.49) CCKBR
SCHEMBL6176956 0.83 CCKBR (0.49) CCKBR
SCHEMBL6176485 0.82 CCKBR (0.49) CCKBR
SCHEMBL6177767 0.82 CCKBR (0.53) CCKBR

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