SCHEMBL8934786

SCHEMBL8934786

C=CCOc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.36
HTR2B P41595 7/20 0.36
HTR2A P28223 7/20 0.34
ADRB2 P07550 2/20 0.34
HTR1A P08908 2/20 0.34
CHRM5 P08912 2/20 0.34
ADRA2A P08913 2/20 0.34
DRD2 P14416 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
DRD4 P21917 2/20 0.34
HRH2 P25021 2/20 0.34
SLC6A4 P31645 2/20 0.34
HTR7 P34969 2/20 0.34
DRD3 P35462 2/20 0.34
HTR6 P50406 2/20 0.34
KCNH2 Q12809 2/20 0.34
GYS1 P13807 1/20 0.32
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL12999822 0.97 HTR2C (0.35) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL8934335 0.91 HTR2C (0.35) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL8934980 0.90 HTR2C (0.37) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL15255877 0.90 HTR2C (0.35) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL8934794 0.90 FFAR4 (0.32) PTGDRPTGDR2ALOX5APFEN1FFAR4
SCHEMBL8934813 0.90 KDM4E (0.34) PTGDRPTGDR2ALOX5APFEN1FFAR4
SCHEMBL8934201 0.89 PTGDR2 (0.41) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL8934808 0.89 PTGDR (0.31) PTGDRPTGDR2ALOX5APFEN1FFAR4
SCHEMBL9015869 0.88 HTR2C (0.34) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL8934482 0.88 HTR2C (0.34) HTR2CHTR2BHTR2AADRB2HTR1A

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed