SCHEMBL695181

SCHEMBL695181

FC(F)(F)c1ccc(-c2cc3c[c]ccc3[nH]2)nc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
GCK P35557 8/20 0.37
KDM4E B2RXH2 2/20 0.34
METAP2 P50579 1/20 0.34
KIF11 P52732 1/20 0.33
IDO1 P14902 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2B6 P20813 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASP3 P42574 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CBFB Q13951 1/20 0.33

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
SCHEMBL703589 0.82 GSK3B (0.48) NPSR1GCKKDM4EKIF11CYP1A2
SCHEMBL694442 0.82 MAPT (0.37) CYP1A2
SCHEMBL694773 0.79 KDM4E (0.36) KDM4ECYP1A2CASP3
SCHEMBL694875 0.79 CCR1 (0.43) KDM4EMETAP2DYRK1A
SCHEMBL694758 0.79 CCNB2 (0.43) KDM4EKIF11CYP1A2CASP3
SCHEMBL695839 0.78 ALDH1A1 (0.43) KDM4EL3MBTL1
SCHEMBL699731 0.73 PIK3CA (0.38)
SCHEMBL694241 0.73 LMNA (0.49) NPSR1KDM4EMETAP2CYP1A2L3MBTL1
SCHEMBL695489 0.72 SCN2A (0.47) NPSR1KDM4EIDO1CYP1A2
SCHEMBL4278217 0.71 METAP2 (0.40) GCKMETAP2DYRK1A

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 8 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-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