SCHEMBL14765682

SCHEMBL14765682

C=CCCOc1ccc(C2CCC(c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
SCN9A Q15858 1/20 0.34
FPR2 P25090 2/20 0.33
RAB9A P51151 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CNR1 P21554 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
KDM1A O60341 2/20 0.31
CYP2C9 P11712 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL14765662 0.94 KDM1A (0.36) FPR2FFAR4KDM1AGABRA1GABRB2
SCHEMBL14765685 0.93 FPR2 (0.36) SCN9AFPR2RAB9AFFAR4RARA
SCHEMBL14765837 0.91 FPR2 (0.39) SCN9AFPR2RAB9AFFAR4RARA
SCHEMBL14765848 0.90 CNR2 (0.35) CNR2SCN9ARAB9AFFAR4CNR1
SCHEMBL12733939 0.89 HTR1A (0.32) FPR2KDM1A
SCHEMBL14766774 0.89 FFAR1 (0.39) CNR2SCN9AFFAR4KDM1APPARG
SCHEMBL14765804 0.89 FFAR4 (0.36) CNR2RAB9AFFAR4CNR1RARA
SCHEMBL14767103 0.88 FFAR1 (0.38) CNR2SCN9AFFAR4RARARARB
SCHEMBL14765920 0.87 NAAA (0.35) CNR2RAB9AFFAR4CNR1KDM1A
SCHEMBL14766954 0.87 GABRA1 (0.35) CNR2SCN9AFFAR4CNR1RARA

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