SCHEMBL694442

SCHEMBL694442

Fc1ccc(-c2cc3c[c]ccc3[nH]2)nc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
MET P08581 1/20 0.35
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
TRPA1 O75762 2/20 0.34
GRM5 P41594 5/20 0.33
TGFBR1 P36897 1/20 0.33
ITK Q08881 2/20 0.33
GSK3B P49841 1/20 0.33
CYP1A1 P04798 2/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
CYP1A2 P05177 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
SCHEMBL694875 0.82 CCR1 (0.43) MAPTGRM5ITKGSK3BAURKA
SCHEMBL694773 0.82 KDM4E (0.36) MAPTGRM5GSK3BCDK5CDK5R1
SCHEMBL694912 0.82 ITK (0.31) MAPTTRPA1ITKCYP1A1
SCHEMBL695181 0.82 NPSR1 (0.37) CYP1A2
SCHEMBL10075907 0.77 CDK5 (0.55) MAPTATP4AATP4BTRPA1CYP1A1
SCHEMBL695386 0.76 CYP1A1 (0.45) MAPTGSK3BCYP1A1CDK5CDK5R1
SCHEMBL694241 0.76 LMNA (0.49) MAPTITKGSK3BCDK5CDK5R1
SCHEMBL4278217 0.75 METAP2 (0.40) GSK3BCDK5CDK5R1
SCHEMBL694916 0.73 CYP1A1 (0.42) MAPTCYP1A1CYP1A2
SCHEMBL693687 0.73 CYP1A1 (0.42) MAPTITKCYP1A1

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