SCHEMBL693201

SCHEMBL693201

FC(F)(F)c1ccc(Cn2cc3ccccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
CRHR1 P34998 1/20 0.43
CFTR P13569 1/20 0.42
ALOX5AP P20292 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
APP P05067 2/20 0.40
PTGER4 P35408 1/20 0.40
CHRM5 P08912 1/20 0.40
CXCR2 P25025 1/20 0.39
NR1I3 Q14994 1/20 0.39
EPHB4 P54760 2/20 0.39
MAPT P10636 1/20 0.38
TGM2 P21980 1/20 0.38
TEK Q02763 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PARP1 P09874 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 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
SCHEMBL693449 0.84 GPR52 (0.48) KDM4EALDH1A1APPPTGER4MAPT
SCHEMBL699692 0.83 RAB9A (0.46) KDM4EALDH1A1MAPTPARP1
SCHEMBL19475067 0.82 PARP1 (0.51) PARP1
SCHEMBL24690106 0.80 HSP90AA1 (0.44) KDM4EALDH1A1EPHB4MAPTTEK
SCHEMBL693468 0.80 DRD2 (0.38) DRD2CFTRALOX5APKDM4EALDH1A1
SCHEMBL9917427 0.78 DRD2 (0.44) DRD2CRHR1MAPTNR1H2NR1H3
SCHEMBL375814 0.78 HDAC6 (0.51) DRD2CRHR1MAPTNR1H2NR1H3
SCHEMBL21407320 0.77 HDAC6 (0.57)
SCHEMBL30585029 0.76 PTGER4 (0.46) PTGER4
SCHEMBL6844901 0.76 PTGER4 (0.46) PTGER4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP disclosed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed