SCHEMBL6178795

SCHEMBL6178795

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

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.51
CCKAR P32238 1/20 0.40
CCKBR P32239 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4433694 1.00 SCN9A (0.51) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL5547781 0.90 SCN9A (0.52) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL4435805 0.90 SCN9A (0.52) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL6028053 0.90 SCN9A (0.52) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL5621305 0.87 SCN9A (0.49) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL5026561 0.87 SCN9A (0.49) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL12345861 0.86 SCN9A (0.64) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL14019266 0.86 SCN9A (0.64) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL4705050 0.86 SCN9A (0.64) SCN9ACCKARCCKBRKMT2AL3MBTL1
SCHEMBL6177528 0.84 SCN9A (0.42) SCN9ACCKBR

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