SCHEMBL6178953

SCHEMBL6178953

CCOC(=O)c1cccc(NC(=O)NC2CN(C(=O)C(C)(C)C)c3ccc(C)cc3N(CC(=O)c3ccco3)C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.41
LMNA P02545 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
SCHEMBL6178664 0.92 CCKBR (0.52) CCKBR
SCHEMBL6180301 0.90 CCKBR (0.47) CCKBRKMT2ALMNA
SCHEMBL6179079 0.88 CCKBR (0.49) CCKBRRAB9AKMT2A
SCHEMBL6176442 0.87 RAB9A (0.44) CCKBRNPC1RAB9AKMT2ALMNA
SCHEMBL7960957 0.86 CCKBR (0.47) CCKBRKMT2ALMNA
SCHEMBL6177998 0.86 CCKBR (0.47) CCKBRKMT2ALMNA
SCHEMBL6181818 0.84 CCKBR (0.50) CCKBRKMT2ALMNA
SCHEMBL7965743 0.84 CCKBR (0.49) CCKBR
SCHEMBL6181169 0.84 CCKBR (0.48) CCKBRRAB9AKMT2A
SCHEMBL6178856 0.82 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