SCHEMBL693687

SCHEMBL693687

Fc1ccc(F)c(-c2cc3c[c]ccc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.42
MAPT P10636 2/20 0.37
HPGD P15428 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
NPY5R Q15761 1/20 0.36
ITK Q08881 2/20 0.34
FFAR1 O14842 2/20 0.34
PPARG P37231 1/20 0.34
HPN P05981 1/20 0.33
KDM4E B2RXH2 3/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
VCP P55072 1/20 0.32
CHEK1 O14757 1/20 0.32
KDR P35968 1/20 0.32
LMNA P02545 3/20 0.31

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
SCHEMBL694582 0.88 MEN1 (0.45) CYP1A1MAPTHPGDALDH1A1MEN1
SCHEMBL695386 0.79 CYP1A1 (0.45) CYP1A1MAPTHPGDALDH1A1MEN1
SCHEMBL694000 0.76 CYP1A1 (0.47) CYP1A1MAPTHPGDALDH1A1MEN1
SCHEMBL694916 0.76 CYP1A1 (0.42) CYP1A1MAPTHPGDALDH1A1MEN1
SCHEMBL695245 0.74 CYP1A1 (0.38) CYP1A1MAPTHPGDALDH1A1MEN1
SCHEMBL694442 0.73 MAPT (0.37) CYP1A1MAPTITK
SCHEMBL694912 0.72 ITK (0.31) CYP1A1MAPTITK
SCHEMBL694490 0.71 CYP1A1 (0.42) CYP1A1MAPTHPGDALDH1A1MEN1
SCHEMBL4467591 0.70
SCHEMBL695581 0.70 CYP1A1 (0.40) CYP1A1MAPTHPGDALDH1A1MEN1

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-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO 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-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