SCHEMBL694880

SCHEMBL694880

Fc1ccc(-c2[nH]c3cc[c]cc3c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PTGS2 P35354 4/20 0.38
SERPINE1 P05121 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
PTGS1 P23219 2/20 0.36
BCHE P06276 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
CNR1 P21554 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35

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
SCHEMBL695828 0.87 MAPK14 (0.40) MAPK14KDM4EMAPTPTGS2SERPINE1
SCHEMBL694066 0.86 ESR1 (0.46) MAPK14KDM4EMAPTPTGS2SERPINE1
SCHEMBL694353 0.85 MAPK14 (0.39) MAPK14KDM4EMAPTPTGS2SERPINE1
SCHEMBL695357 0.71 MAP2K4 (0.45) KDM4EHTR2AHTR2C
SCHEMBL852559 0.70 ALDH1A1 (0.39) KDM4EMAPT
SCHEMBL694834 0.69 NR1I2 (0.40) MAPK14MAPK13MAPK12MAPK11
SCHEMBL695386 0.69 CYP1A1 (0.45) MAPK14KDM4EMAPTCTSVCTSL
SCHEMBL4280065 0.69 MAOA (0.53) KDM4EMAPTDRD2HTR2AHTR2C
SCHEMBL694176 0.68 DRD2 (0.43) MAPK14KDM4EMAPTDRD2HTR2A
SCHEMBL693599 0.68 MAPK14 (0.55) MAPK14KDM4EMAPTPTGS2SERPINE1

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 4 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
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-2421848-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