SCHEMBL705031

SCHEMBL705031

Cc1c(-c2cccc(OC(F)(F)F)c2)[nH]c2cc[c]cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
TRPC5 Q9UL62 1/20 0.41
KCNH2 Q12809 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
XDH P47989 1/20 0.38
MAT2A P31153 1/20 0.37
NPY5R Q15761 1/20 0.37
USP7 Q93009 1/20 0.36
GALR1 P47211 1/20 0.36
DHODH Q02127 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALOX5 P09917 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL694176 0.80 DRD2 (0.43) MAPK14DYRK1A
SCHEMBL695360 0.76 F2 (0.48) KIF11KCNH2TLR9
SCHEMBL695800 0.76 USP7 (0.53) KCNH2SCN10AXDHNPY5RUSP7
SCHEMBL694834 0.73 NR1I2 (0.40) TLR9TLR7MAPK14ALOX5
SCHEMBL694353 0.71 MAPK14 (0.39) MAPK14
SCHEMBL361619 0.70 XDH (0.42) KCNH2SCN10AXDHNPY5RUSP7
SCHEMBL534246 0.70 SLC13A5 (0.44) KCNH2SCN10AXDHNPY5RUSP7
SCHEMBL27549061 0.70 KIF11 (0.55) KIF11KCNH2SCN10AMAT2AALOX5
SCHEMBL9607504 0.70 MAT2A (0.46) KIF11TRPC5MAT2ACYP2C9MAPK14
SCHEMBL16719909 0.68 ADORA1 (0.43) KCNH2SCN10AXDHNPY5RGALR1

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-2421825-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
EP-2421825-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