SCHEMBL14766939

SCHEMBL14766939

C=CCCOc1ccc(OCC2CCC(c3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
ACACB O00763 1/20 0.32
CNR2 P34972 10/20 0.32
CNR1 P21554 2/20 0.32
SCN9A Q15858 2/20 0.32
HCRTR2 O43614 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
SCHEMBL14766031 1.00 LRRK2 (0.33) LRRK2ALOX5APFEN1HTR2AHTR2C
SCHEMBL14765673 0.93 GABRA1 (0.33) HTR2CHTR2BACACBSCN9AHCRTR2
SCHEMBL14765964 0.93 SCN9A (0.33) ALOX5APFEN1ACACBCNR2CNR1
SCHEMBL14766808 0.93 SCN9A (0.33) ALOX5APFEN1ACACBCNR2CNR1
SCHEMBL14765898 0.91 KDM1A (0.34) LRRK2HTR2AHTR2CHTR2BACACB
SCHEMBL14766432 0.91 FFAR1 (0.33) LRRK2ACACBSCN9A
SCHEMBL14767211 0.90 FFAR1 (0.35) ACACBSCN9A
SCHEMBL12740631 0.90 SCN9A (0.40) ALOX5APFEN1HTR2AHTR2CHTR2B
SCHEMBL14765836 0.90 HTR2C (0.38) LRRK2ALOX5APFEN1HTR2AHTR2C
SCHEMBL12735802 0.90 SCN9A (0.40) ALOX5APFEN1HTR2AHTR2CHTR2B

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