SCHEMBL8935125

SCHEMBL8935125

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CNR1 P21554 1/20 0.35
SCN9A Q15858 1/20 0.33
ALOX5AP P20292 5/20 0.32
FEN1 P39748 5/20 0.32
FPR2 P25090 3/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL8962284 0.97 CNR2 (0.35) CNR2GABRA1GABRB2CNR1SCN9A
SCHEMBL8935131 0.97 GABRA1 (0.37) CNR2GABRA1GABRB2CNR1SCN9A
SCHEMBL8935144 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2CNR1SCN9A
SCHEMBL8935139 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2CNR1SCN9A
SCHEMBL8935132 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2CNR1SCN9A
SCHEMBL8935140 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2CNR1SCN9A
SCHEMBL8935112 0.94 GABRA1 (0.40) CNR2GABRA1GABRB2ALOX5APFEN1
SCHEMBL19985533 0.94 CNR2 (0.34) CNR2GABRA1GABRB2CNR1SCN9A
SCHEMBL8962343 0.94 GABRA1 (0.35) CNR2GABRA1GABRB2CNR1ALOX5AP
SCHEMBL8962581 0.93 GABRA1 (0.35) CNR2GABRA1GABRB2CNR1ALOX5AP

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-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed