SCHEMBL6177572

SCHEMBL6177572

Cc1ccccc1C(=O)CN1C(=O)C(NC(=O)OC(C)(C)C)CN(C(=O)C(C)(C)C)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.40
ACE P12821 1/20 0.38
CCKBR P32239 3/20 0.38

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
SCHEMBL6176603 0.92 CCKBR (0.39) SCN9AACECCKBR
SCHEMBL6179477 0.92 XIAP (0.44) SCN9AACECCKBR
SCHEMBL6176902 0.91 XIAP (0.46) SCN9AACECCKBR
SCHEMBL6177414 0.91 SCN9A (0.40) SCN9ACCKBR
SCHEMBL6181212 0.89 XIAP (0.42) SCN9AACECCKBR
SCHEMBL6177871 0.89 ACE (0.39) SCN9AACECCKBR
SCHEMBL6178704 0.89 SCN9A (0.41) SCN9AACE
SCHEMBL6180634 0.89 XIAP (0.43)
SCHEMBL6180586 0.89 XIAP (0.39) SCN9AACECCKBR
SCHEMBL6178654 0.89 XIAP (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