SCHEMBL14765906

SCHEMBL14765906

CCCCOc1ccc(C2CCC(CCc3ccc(C4CCC(OCCC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
CNR1 P21554 1/20 0.30
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
SCHEMBL14766969 1.00 SCN9A (0.32) SCN9ACNR1CNR2
SCHEMBL14765892 0.97 SCN9A (0.32) SCN9ACNR1CNR2
SCHEMBL14766647 0.97 SCN9A (0.32) SCN9ACNR1CNR2
SCHEMBL14766310 0.94 SCN9A (0.30) SCN9A
SCHEMBL14766556 0.94 SCN9A (0.30) SCN9A
SCHEMBL14922511 0.94 SCN9A (0.35) SCN9ACNR1CNR2
SCHEMBL14922539 0.91 SCN9A (0.34) SCN9ACNR1CNR2
SCHEMBL14766312 0.91 KDM1A (0.33) SCN9A
SCHEMBL10302060 0.91 SCN9A (0.32) SCN9ACNR1CNR2
SCHEMBL12196773 0.91 SCN9A (0.32) SCN9ACNR1CNR2

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