SCHEMBL6176701

SCHEMBL6176701

Cc1ccc2c(c1)NC(=O)C(NC(=O)OC(C)(C)C)CN2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
NAAA Q02083 6/20 0.46
GAA P10253 2/20 0.44
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
RIPK1 Q13546 2/20 0.37
USP2 O75604 1/20 0.37
ASAH1 Q13510 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 1/20 0.35
TSHR P16473 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
SCHEMBL15811245 0.95 EPHX2 (0.51) EPHX2NAAAGAANFKB1NFKB2
SCHEMBL30832132 0.87 EPHX2 (0.47) EPHX2NAAAGAANFKB1NFKB2
SCHEMBL8210416 0.87 EPHX2 (0.47) EPHX2NAAAGAANFKB1NFKB2
SCHEMBL31656028 0.87 EPHX2 (0.47) EPHX2NAAAGAANFKB1NFKB2
SCHEMBL6177311 0.87 EPHX2 (0.47) EPHX2NAAAGAANFKB1NFKB2
SCHEMBL645858 0.85 EPHX2 (0.62) EPHX2NAAAGAANFKB1NFKB2
SCHEMBL3485516 0.85 EPHX2 (0.62) EPHX2NAAAGAANFKB1NFKB2
SCHEMBL949512 0.85 EPHX2 (0.62) EPHX2NAAAGAANFKB1NFKB2
SCHEMBL4988872 0.83 EPHX2 (0.47) EPHX2NAAAGAANFKB1NFKB2
SCHEMBL4988882 0.83 EPHX2 (0.47) EPHX2NAAAGAANFKB1NFKB2

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