SCHEMBL6177311

SCHEMBL6177311

CC(C)(C)OC(=O)NC1CNc2ccc(F)cc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
GAA P10253 1/20 0.43
NAAA Q02083 11/20 0.40
SCN9A Q15858 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
RIPK1 Q13546 1/20 0.37
ASAH1 Q13510 2/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL8210416 1.00 EPHX2 (0.47) EPHX2GAANAAASCN9ANFKB1
SCHEMBL6176701 0.87 EPHX2 (0.51) EPHX2GAANAAANFKB1NFKB2
SCHEMBL4988872 0.87 EPHX2 (0.47) EPHX2GAANAAASCN9ANFKB1
SCHEMBL4988882 0.87 EPHX2 (0.47) EPHX2GAANAAASCN9ANFKB1
SCHEMBL30832132 0.86 EPHX2 (0.47) EPHX2GAANAAANFKB1NFKB2
SCHEMBL31656028 0.86 EPHX2 (0.47) EPHX2GAANAAANFKB1NFKB2
SCHEMBL645858 0.84 EPHX2 (0.62) EPHX2GAANAAASCN9ANFKB1
SCHEMBL949512 0.84 EPHX2 (0.62) EPHX2GAANAAASCN9ANFKB1
SCHEMBL3485516 0.84 EPHX2 (0.62) EPHX2GAANAAASCN9ANFKB1
SCHEMBL13878893 0.84 GAA (0.45) EPHX2GAANFKB1NFKB2RELA

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