SCHEMBL9913868

SCHEMBL9913868

Fc1cc(F)cc(OC2CCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.44
EPHX2 P34913 2/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
PARP10 Q53GL7 1/20 0.40
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
GRM5 P41594 3/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
PDK2 Q15119 2/20 0.36
FURIN P09958 2/20 0.34

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
SCHEMBL28014799 0.95 EPHX2 (0.42) FFAR4EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL3037790 0.91 EPHX2 (0.48) FFAR4EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL19510585 0.86 FFAR4 (0.40) FFAR4EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL23897757 0.83 MCHR1 (0.39) FFAR4EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL20064173 0.82 FFAR4 (0.40) FFAR4EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL2679228 0.81 HRH1 (0.55) EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL3121707 0.81 EPHX2 (0.40) FFAR4EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL12078197 0.81 GRM5 (0.41) FFAR4EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL14300800 0.81 GRM5 (0.40) FFAR4EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL13078055 0.80 FFAR4 (0.42) FFAR4EPHX2SLC6A2SLC6A4SLC6A3

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
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed
WO-2012072512-A1 N-CYCLOBUTYL-IMIDAZOPYRIDINE OR -PYRAZOLOPYRIDINE CARBOXAMIDES AS TRPV1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-06-07 WO disclosed