SCHEMBL6179330

SCHEMBL6179330

CCOC(=O)c1cccc(NC(=O)NC2CN(c3ccccc3)c3ccc(OC)cc3N(CC(=O)C(C)(C)C)C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.47
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL6178816 0.92 CCKBR (0.53) CCKBRLMNA
SCHEMBL6177621 0.92 CCKBR (0.49) CCKBR
SCHEMBL7950938 0.90 CCKBR (0.53) CCKBRLMNA
SCHEMBL6179523 0.86 CCKBR (0.51) CCKBR
SCHEMBL6180555 0.85 CCKBR (0.53) CCKBR
SCHEMBL7951149 0.85 CCKBR (0.46) CCKBR
SCHEMBL6175868 0.84 CCKBR (0.58) CCKBR
SCHEMBL6176707 0.83 CCKBR (0.47) CCKBRLMNAMAPT
SCHEMBL6177526 0.83 CCKBR (0.52) CCKBR
SCHEMBL6825346 0.83 CCKBR (0.52) 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