SCHEMBL6177528

SCHEMBL6177528

CC(C)(C)OC(=O)NC1CN(C(=O)C(C)(C)C)c2ccccc2N(CC(=O)C(C)(C)C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.42
ACE P12821 1/20 0.41
CCKBR P32239 2/20 0.41

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
SCHEMBL6178218 0.92 ACE (0.49) SCN9AACECCKBR
SCHEMBL6175287 0.89 SCN9A (0.43) SCN9AACECCKBR
SCHEMBL6176827 0.89 SCN9A (0.43) SCN9AACECCKBR
SCHEMBL6177575 0.89 ACE (0.43) SCN9AACECCKBR
SCHEMBL6176886 0.88 SCN9A (0.44) SCN9A
SCHEMBL6179669 0.88 CCKBR (0.43) SCN9AACECCKBR
SCHEMBL6177572 0.87 SCN9A (0.40) SCN9AACECCKBR
SCHEMBL6177387 0.87 ACE (0.40) SCN9AACECCKBR
SCHEMBL6175353 0.86 SCN9A (0.46) SCN9ACCKBR
SCHEMBL6178120 0.86 SCN9A (0.42) SCN9AACECCKBR

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