SCHEMBL6178704

SCHEMBL6178704

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.41
XIAP P98170 11/20 0.40
CYP3A4 P08684 6/20 0.40
ACE P12821 1/20 0.39

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
SCHEMBL6179477 0.90 XIAP (0.44) SCN9AXIAPACE
SCHEMBL6180586 0.90 XIAP (0.39) SCN9AXIAPCYP3A4ACE
SCHEMBL6176902 0.89 XIAP (0.46) SCN9AXIAPCYP3A4ACE
SCHEMBL6177572 0.89 SCN9A (0.40) SCN9AACE
SCHEMBL6177871 0.88 ACE (0.39) SCN9AACE
SCHEMBL6180634 0.88 XIAP (0.43) XIAPCYP3A4
SCHEMBL6178654 0.87 XIAP (0.42) SCN9AXIAPCYP3A4ACE
SCHEMBL6177673 0.86 ACE (0.38) SCN9AACE
SCHEMBL6175171 0.85 TSHR (0.38) SCN9AXIAPACE
SCHEMBL6179055 0.85 RAB9A (0.40) SCN9AXIAPACE

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