SCHEMBL695800

SCHEMBL695800

FC(F)(F)Oc1cccc(-c2n[nH]c3cc[c]cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.53
TRPA1 O75762 6/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
LRRK2 Q5S007 1/20 0.45
HDAC6 Q9UBN7 1/20 0.42
CHEK1 O14757 1/20 0.42
BTK Q06187 1/20 0.40
XDH P47989 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
METAP2 P50579 1/20 0.38
FGFR4 P22455 1/20 0.38
AURKA O14965 1/20 0.38
NPY5R Q15761 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PDE4B Q07343 1/20 0.37

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
SCHEMBL699881 0.81 PIM1 (0.52) TRPA1LRRK2AURKAPIM1
SCHEMBL694710 0.79 MAP2K4 (0.48) AURKA
SCHEMBL705031 0.76 KIF11 (0.42) USP7XDHKCNH2SCN10ANPY5R
SCHEMBL694496 0.75 ALDH1A1 (0.61) LRRK2AURKAPIM1PIM3
SCHEMBL5378108 0.74 USP7 (0.47) USP7TRPA1SCN5ASCN9ALRRK2
SCHEMBL12907169 0.73 JAK2 (0.60) USP7HDAC6CHEK1BTKXDH
SCHEMBL361619 0.72 XDH (0.42) USP7XDHKCNH2SCN10ANPY5R
SCHEMBL534246 0.72 SLC13A5 (0.44) USP7XDHKCNH2SCN10ANPY5R
SCHEMBL699588 0.72 MAP2K4 (0.54) TRPA1SCN5ASCN9ALRRK2
SCHEMBL695280 0.72 TRPA1 (0.52) TRPA1AURKA

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-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
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
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed