SCHEMBL14766854

SCHEMBL14766854

C=CCCOc1ccc(COC2CCC(c3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CNR2 P34972 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
SCHEMBL14766254 1.00 SCN9A (0.32) SCN9AGABRA1GABRB2CNR2
SCHEMBL14765882 0.97 GABRA1 (0.32) SCN9AGABRA1GABRB2CNR2
SCHEMBL14766717 0.97 GABRA1 (0.32) SCN9AGABRA1GABRB2CNR2
SCHEMBL14766987 0.93 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL14765880 0.93 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL14765755 0.93 SCN9A (0.36) SCN9AGABRA1GABRB2CNR2
SCHEMBL14766522 0.92 SCN9A (0.34) SCN9A
SCHEMBL14766589 0.92 SCN9A (0.34) SCN9A
SCHEMBL14766554 0.91 SCN9A (0.33) SCN9A
SCHEMBL14766738 0.90 FFAR4 (0.35) GABRA1GABRB2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed