SCHEMBL6179060

SCHEMBL6179060

CC(C)(C)OC(=O)CSc1cccc(NC(=O)N[C@@H]2CN(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.53
CCKAR P32238 8/20 0.53
NPY1R P25929 1/20 0.42

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
SCHEMBL6180510 0.88 CCKBR (0.52) CCKBRCCKARNPY1R
SCHEMBL6179900 0.88 CCKBR (0.52) CCKBRCCKARNPY1R
SCHEMBL6176572 0.86 CCKBR (0.50) CCKBRCCKARNPY1R
SCHEMBL6180505 0.86 CCKBR (0.49) CCKBRCCKARNPY1R
SCHEMBL6176956 0.86 CCKBR (0.49) CCKBRCCKARNPY1R
SCHEMBL6177809 0.86 CCKBR (0.49) CCKBRCCKARNPY1R
SCHEMBL6178565 0.86 CCKBR (0.49) CCKBRCCKARNPY1R
SCHEMBL6177555 0.85 CCKBR (0.50) CCKBRCCKARNPY1R
SCHEMBL6177275 0.85 CCKBR (0.50) CCKBRCCKARNPY1R
SCHEMBL16490254 0.84 CCKBR (0.60) 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