SCHEMBL6176897

SCHEMBL6176897

CC(C)(C)OC(=O)NC1CN(C2CCCC2)c2ccccc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OGFRL1 Q5TC84 2/20 0.41
IDO1 P14902 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CALCRL Q16602 4/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL6176893 1.00 EPHX2 (0.44) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6176794 0.99 EPHX2 (0.43) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6176058 0.99 EPHX2 (0.43) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6175789 0.99 EPHX2 (0.43) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6175781 0.99 EPHX2 (0.43) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6176933 0.90 EPHX2 (0.44) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6175862 0.86 HSD17B10 (0.40) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL7950958 0.86 HSD17B10 (0.40) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6180590 0.86 EPHX2 (0.39) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6178496 0.85 EPHX2 (0.39) EPHX2GAAKDM4EALDH1A1MAPT

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