SCHEMBL6180301

SCHEMBL6180301

CCOC(=O)c1cccc(NC(=O)NC2CN(C(=O)C(C)(C)C)c3ccc(C)cc3N(CC(=O)c3ccc(C)o3)C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.47
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL6178856 0.92 CCKBR (0.52) CCKBR
SCHEMBL6188381 0.91 CCKBR (0.42) CCKBRMAPTLMNA
SCHEMBL6178953 0.90 CCKBR (0.47) CCKBRKMT2ALMNA
SCHEMBL6179079 0.88 CCKBR (0.49) CCKBRKMT2AMAPT
SCHEMBL7960957 0.86 CCKBR (0.47) CCKBRKMT2ALMNA
SCHEMBL6177998 0.86 CCKBR (0.47) CCKBRKMT2ALMNA
SCHEMBL6181818 0.84 CCKBR (0.50) CCKBRKMT2AMAPTLMNATP53
SCHEMBL6181169 0.84 CCKBR (0.48) CCKBRKMT2AMAPT
SCHEMBL6178664 0.82 CCKBR (0.52) CCKBR
SCHEMBL7965743 0.82 CCKBR (0.49) CCKBRMAPT

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