SCHEMBL6178348

SCHEMBL6178348

CN1CC(NC(=O)OC(C)(C)C)C(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.47
CCKAR P32238 1/20 0.44
CCKBR P32239 1/20 0.44
AKT1 P31749 1/20 0.42
ACE P12821 1/20 0.41
XIAP P98170 2/20 0.40
POLB P06746 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
SCHEMBL6178120 0.88 SCN9A (0.42) SCN9ACCKARCCKBRAKT1ACE
SCHEMBL6178646 0.86 POLB (0.43) SCN9ACCKARCCKBRACEPOLB
SCHEMBL4701944 0.83 SCN9A (0.50) SCN9AXIAP
SCHEMBL4702862 0.82 SCN9A (0.53) SCN9A
SCHEMBL14084769 0.82 SCN9A (0.53) SCN9A
SCHEMBL6175287 0.80 SCN9A (0.43) SCN9ACCKBRACEPOLB
SCHEMBL4705050 0.78 SCN9A (0.64) SCN9ACCKARCCKBR
SCHEMBL12345861 0.78 SCN9A (0.64) SCN9ACCKARCCKBR
SCHEMBL14019266 0.78 SCN9A (0.64) SCN9ACCKARCCKBR
SCHEMBL7421536 0.78 PYGL (0.55) SCN9ACCKBRACE

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