SCHEMBL6178932

SCHEMBL6178932

CC(C)(C)OC(=O)NC1CN(Cc2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.49
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX12 P18054 1/20 0.47
EPHX2 P34913 2/20 0.46
HDAC6 Q9UBN7 4/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
IDO1 P14902 1/20 0.42
CCKAR P32238 1/20 0.42
CCKBR P32239 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
HDAC1 Q13547 1/20 0.40
BRD4 O60885 1/20 0.40
NPY1R P25929 1/20 0.40

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
SCHEMBL12345855 1.00 SCN9A (0.49) SCN9AKMT2AL3MBTL1ALOX12EPHX2
SCHEMBL4249302 0.87 SCN9A (0.41) SCN9AKMT2AL3MBTL1EPHX2HDAC6
SCHEMBL4249305 0.87 SCN9A (0.41) SCN9AKMT2AL3MBTL1EPHX2HDAC6
SCHEMBL4248814 0.86 SCN9A (0.50) SCN9AEPHX2HDAC6HDAC2HDAC8
SCHEMBL4248819 0.86 SCN9A (0.50) SCN9AEPHX2HDAC6HDAC2HDAC8
SCHEMBL3910690 0.85 EPHX2 (0.53) KMT2AALOX12EPHX2HDAC6HDAC2
SCHEMBL4249468 0.84 SCN9A (0.43) SCN9AEPHX2HDAC6HDAC2HDAC8
SCHEMBL4249463 0.84 SCN9A (0.43) SCN9AEPHX2HDAC6HDAC2HDAC8
SCHEMBL12345847 0.83 EPHX2 (0.48) SCN9AEPHX2HDAC6HDAC2HDAC8
SCHEMBL4706300 0.83 EPHX2 (0.48) SCN9AEPHX2HDAC6HDAC2HDAC8

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