SCHEMBL6181297

SCHEMBL6181297

CC(C)(C)OC(=O)N[C@@H]1CN(C2C=CCCC2)c2ccccc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MAPK10 P53779 1/20 0.36
IDO1 P14902 1/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 1/20 0.34
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL6178706 1.00 EPHX2 (0.40) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6180590 0.97 EPHX2 (0.39) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6178496 0.96 EPHX2 (0.39) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6178497 0.96 EPHX2 (0.39) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6177417 0.94 EPHX2 (0.41) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6179601 0.94 EPHX2 (0.41) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6179315 0.88 HSD17B10 (0.38) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6176893 0.84 EPHX2 (0.44) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6176897 0.84 EPHX2 (0.44) EPHX2GAAKDM4EALDH1A1MAPT
SCHEMBL6176058 0.84 EPHX2 (0.43) 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 6 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-6344452-B1 GASTRIN RECEPTOR ANTAGONIST, GASTROINTESTINAL DISORDERS, ETC ZERIA PHARMACEUTICALS CO., LTD. (JP) 2002-02-05 US 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-1085014-A1 1,5-BENZODIAZEPINE DERIVATIVES Zeria Pharmaceutical Co., Ltd. (JP) 2001-03-21 EP disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed