SCHEMBL14765848

SCHEMBL14765848

C=CCCOc1ccc(C2CCC(c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
SCN9A Q15858 1/20 0.33
CNR1 P21554 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL14766672 0.94 ALOX5AP (0.32) CNR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL14765842 0.94 ALOX5AP (0.32) CNR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL14765863 0.94 GABRA1 (0.33) CNR2GABRA1GABRB2MAPTL3MBTL1
SCHEMBL14767102 0.92 GABRA1 (0.33) CNR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL14765952 0.92 GABRA1 (0.33) CNR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL14765994 0.91 ALOX5AP (0.33) CNR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL14767182 0.91 ALOX5AP (0.33) CNR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL14766325 0.90 CNR2 (0.32) CNR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL14767075 0.90 SCN9A (0.34) SCN9ARAB9ANPC1HPGDSMN1; SMN2
SCHEMBL14765693 0.90 CNR2 (0.30) CNR2CHRM2CHRM4CHRM5CHRM1

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