SCHEMBL6177417

SCHEMBL6177417

CC(C)(C)OC(=O)N[C@@H]1CN(C2C=CCC2)c2ccccc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
IDO1 P14902 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPK10 P53779 1/20 0.35
CCKAR P32238 1/20 0.35
CCKBR P32239 1/20 0.35
SCN9A Q15858 1/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6179601 1.00 EPHX2 (0.41) EPHX2PIM1PIM3PIM2GAA
SCHEMBL6178706 0.94 EPHX2 (0.40) EPHX2PIM1PIM3PIM2GAA
SCHEMBL6181297 0.94 EPHX2 (0.40) EPHX2PIM1PIM3PIM2GAA
SCHEMBL6180590 0.94 EPHX2 (0.39) EPHX2PIM1PIM3PIM2GAA
SCHEMBL6178497 0.93 EPHX2 (0.39) EPHX2PIM1PIM3PIM2GAA
SCHEMBL6178496 0.93 EPHX2 (0.39) EPHX2PIM1PIM3PIM2GAA
SCHEMBL6176933 0.84 EPHX2 (0.44) EPHX2PIM1PIM3PIM2GAA
SCHEMBL6176897 0.84 EPHX2 (0.44) EPHX2PIM1PIM3PIM2GAA
SCHEMBL6176893 0.84 EPHX2 (0.44) EPHX2PIM1PIM3PIM2GAA
SCHEMBL6175789 0.83 EPHX2 (0.43) EPHX2PIM1PIM3PIM2GAA

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