SCHEMBL693798

SCHEMBL693798

Cc1[nH]c2c[c]ccc2c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
BRD4 O60885 1/20 0.40
PIN1 Q13526 1/20 0.40
MAPT P10636 1/20 0.40
SLC11A2 P49281 1/20 0.38
SCN2A Q99250 2/20 0.37
CNR2 P34972 1/20 0.37
TDO2 P48775 1/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPK14 Q16539 1/20 0.36
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KIF11 P52732 1/20 0.35
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
XDH P47989 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
SCHEMBL694243 0.84 IMPDH2 (0.40) MAPTSLC11A2KIF11
SCHEMBL694132 0.83 TNKS2 (0.41) MAPTMAPK14KDM4E
SCHEMBL695820 0.79 IMPDH2 (0.49) MAPTKDM4EHSD17B10
SCHEMBL698412 0.74 PIM1 (0.47) SCN2ATDO2IDO1XDH
SCHEMBL695860 0.74 IMPDH2 (0.40) MAPTHTR2AHTR2CMAPK14
SCHEMBL4811581 0.72 KIF11 (0.55) MAPTKIF11
SCHEMBL695042 0.71 RAPGEF4 (0.41) IKBKBBRD4MAPK14IDO1KDM4E
SCHEMBL695489 0.70 SCN2A (0.47) PIN1MAPTSCN2ATDO2MAPK14
SCHEMBL699881 0.68 PIM1 (0.52) IKBKBSCN2ATDO2MAPK14IDO1
SCHEMBL695464 0.68 IDO1 (0.46) SCN2AHTR2CIDO1KIF11

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-3197450-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-08-02 EP disclosed
WO-2016046130-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-03-31 WO disclosed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed