SCHEMBL6180432

SCHEMBL6180432

CCOC(=O)c1cccc(NC(=O)NC2CN(C3CCCCC3)c3ccc(C)cc3N(CC(=O)C(C)(C)C)C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.54
CCKAR P32238 2/20 0.44
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 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
SCHEMBL6177552 0.94 CCKBR (0.49) CCKBRCCKARKMT2ATP53MAPT
SCHEMBL6177783 0.91 CCKBR (0.59) CCKBRCCKAR
SCHEMBL6177795 0.91 CCKBR (0.59) CCKBRCCKAR
SCHEMBL6177399 0.88 CCKBR (0.49) CCKBRKMT2AMAPT
SCHEMBL6178816 0.85 CCKBR (0.53) CCKBRCCKARLMNA
SCHEMBL6180505 0.85 CCKBR (0.49) CCKBRCCKAR
SCHEMBL6176956 0.85 CCKBR (0.49) CCKBRCCKAR
SCHEMBL6177809 0.85 CCKBR (0.49) CCKBRCCKAR
SCHEMBL6178565 0.85 CCKBR (0.49) CCKBRCCKAR
SCHEMBL6179633 0.85 CCKBR (0.60) 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