SCHEMBL6179099

SCHEMBL6179099

CCC(C)(C)C(=O)N1CC(NC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(CC(=O)c2ccccc2C)c2cc(C)ccc21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.53
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
CCKAR P32238 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
SCHEMBL6180689 0.94 CCKBR (0.52) CCKBRCYP3A4MAPTTSHR
SCHEMBL6179311 0.94 CCKBR (0.55) CCKBRCYP3A4MAPTTSHR
SCHEMBL6181169 0.93 CCKBR (0.48) CCKBRCYP3A4MAPTTSHR
SCHEMBL6180696 0.90 CCKBR (0.53) CCKBRCYP3A4MAPTTSHR
SCHEMBL6179728 0.90 CCKBR (0.53) CCKBRCYP3A4MAPTTSHR
SCHEMBL6176047 0.89 CCKBR (0.53) CCKBRCYP3A4MAPTTSHR
SCHEMBL6179023 0.88 CCKBR (0.50) CCKBRCYP3A4MAPTTSHR
SCHEMBL6179284 0.88 CCKBR (0.51) CCKBRCYP3A4MAPTTSHRCCKAR
SCHEMBL6179031 0.88 CCKBR (0.47) CCKBRCYP3A4MAPTTSHR
SCHEMBL6180216 0.88 CCKBR (0.50) CCKBRCYP3A4MAPTTSHRCCKAR

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