SCHEMBL14766949

SCHEMBL14766949

CCCCOC1CCC(c2ccc(C3CCC(COc4ccc(OCC)c(F)c4F)CC3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
CNR2 P34972 7/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
SCN9A Q15858 4/20 0.33
CNR1 P21554 1/20 0.33
HCRTR2 O43614 1/20 0.32
SSTR5 P35346 1/20 0.32
KCNH2 Q12809 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL14765812 0.96 ALOX5AP (0.35) ALOX5APFEN1CNR2HTR2AHTR2C
SCHEMBL14766861 0.96 ALOX5AP (0.35) ALOX5APFEN1CNR2HTR2AHTR2C
SCHEMBL14766159 0.93 ALOX5AP (0.34) ALOX5APFEN1CNR2HTR2AHTR2C
SCHEMBL14766761 0.93 ALOX5AP (0.34) ALOX5APFEN1CNR2HTR2AHTR2C
SCHEMBL1240559 0.93 ALOX5AP (0.37) ALOX5APFEN1CNR2HTR2AHTR2C
SCHEMBL1240560 0.93 ALOX5AP (0.37) ALOX5APFEN1CNR2HTR2AHTR2C
SCHEMBL14922643 0.93 ALOX5AP (0.37) ALOX5APFEN1CNR2HTR2AHTR2C
SCHEMBL11025636 0.93 SCN9A (0.35) SCN9AHCRTR2
SCHEMBL14766051 0.91 KDM1A (0.40) CNR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL14766027 0.91 GPR119 (0.37) SCN9AHCRTR2GPR119

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