SCHEMBL694834

SCHEMBL694834

Cc1c(-c2ccc(F)c(F)c2)[nH]c2cc[c]cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.40
ALOX5 P09917 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MET P08581 1/20 0.32
PGR P06401 1/20 0.32
F2 P00734 1/20 0.32
TLR9 Q9NR96 3/20 0.32
TLR7 Q9NYK1 3/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
VCP P55072 1/20 0.31
PARP1 P09874 1/20 0.30
PARP3 Q9Y6F1 1/20 0.30
NOTUM Q6P988 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL694353 0.84 MAPK14 (0.39) NR1I2CYP11B1CYP11B2MAPK14TNKS2
SCHEMBL694176 0.82 DRD2 (0.43) NR1I2CYP11B1CYP11B2F2MAPK13
SCHEMBL695360 0.77 F2 (0.48) MAOAMAOBCYP11B1CYP11B2F2
SCHEMBL705031 0.73 KIF11 (0.42) ALOX5TLR9TLR7MAPK14
SCHEMBL695280 0.71 TRPA1 (0.52) NOTUMTGFBR1TRPA1
SCHEMBL21143014 0.71 NR4A2 (0.41) ALOX5
SCHEMBL694000 0.70 CYP1A1 (0.47) METPGRNOTUM
SCHEMBL694880 0.69 MAPK14 (0.42) MAPK13MAPK12MAPK11MAPK14
SCHEMBL314742 0.69 AHR (0.52)
SCHEMBL2431965 0.67 AKR1C3 (0.43) CYP11B1CYP11B2NOTUMTGFBR1TNKS

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-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-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
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed