SCHEMBL6179544

SCHEMBL6179544

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.49
CASP2 P42575 1/20 0.49
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
EPHX2 P34913 1/20 0.43
IDO1 P14902 1/20 0.40
GAA P10253 1/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCN9A Q15858 1/20 0.38
MAPK10 P53779 1/20 0.37
CCKAR P32238 1/20 0.36
CCKBR P32239 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6179248 0.89 EPHX2 (0.43) HDAC2HDAC8HDAC6EPHX2IDO1
SCHEMBL6176634 0.87 EPHX2 (0.46) HDAC2HDAC8HDAC6EPHX2IDO1
SCHEMBL16718323 0.87 EPHX2 (0.41) HDAC2HDAC8HDAC6EPHX2IDO1
SCHEMBL16718325 0.87 EPHX2 (0.41) HDAC2HDAC8HDAC6EPHX2IDO1
SCHEMBL6175654 0.86 EPHX2 (0.46) HDAC2HDAC8HDAC6EPHX2IDO1
SCHEMBL6176374 0.86 EPHX2 (0.46) HDAC2HDAC8HDAC6EPHX2IDO1
SCHEMBL6175840 0.85 EPHX2 (0.45) HDAC2HDAC8HDAC6EPHX2IDO1
SCHEMBL15799246 0.85 EPHX2 (0.45) HDAC2HDAC8HDAC6EPHX2IDO1
SCHEMBL6176760 0.85 ALDH1A1 (0.42) HDAC2HDAC8HDAC6EPHX2PIM1
SCHEMBL6177544 0.84 EPHX2 (0.44) HDAC2HDAC8HDAC6EPHX2IDO1

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