SCHEMBL694967

SCHEMBL694967

Fc1[c]cc2cc(-c3ccc(F)cc3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
CYP1A1 P04798 2/20 0.42
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL694976 0.85 KDM4E (0.44) CTSVCTSLCYP1A1CCNB2CDK1
SCHEMBL694886 0.83 CYP1A1 (0.44) CTSVCTSLCYP1A1CCNB2CDK1
SCHEMBL695386 0.76 CYP1A1 (0.45) CTSVCTSLCYP1A1CCNB2CDK1
SCHEMBL16720322 0.75 CTSV (0.43) CTSVCTSLCYP1A1CCNB2CDK1
SCHEMBL30869753 0.74 CYP1A1 (0.68) CTSVCTSLCYP1A1KDM4ENPC1
SCHEMBL2061664 0.73 RAB9A (0.71) CTSVCTSLCYP1A1KDM4ENPC1
SCHEMBL29496847 0.73 RAB9A (0.71) CTSVCTSLCYP1A1KDM4ENPC1
SCHEMBL695341 0.72 ITK (0.56) CTSVCTSLCYP1A1KDM4ENPC1
SCHEMBL695284 0.72 ALDH1A1 (0.57) CTSVCTSLCYP1A1KDM4ENPC1
SCHEMBL4568270 0.71 CYP1A1 (0.52) CTSVCTSLCYP1A1CCNB2CDK1

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-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
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
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-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed