SCHEMBL8948136

SCHEMBL8948136

C=CCOc1ccc(-c2ccc(-c3ccc(C4CCC(C)OC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.36
HTR2B P41595 6/20 0.36
HTR2A P28223 7/20 0.34
FPR2 P25090 1/20 0.32
ADRB2 P07550 2/20 0.32
HTR1A P08908 2/20 0.32
CHRM5 P08912 2/20 0.32
ADRA2A P08913 2/20 0.32
DRD2 P14416 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
DRD4 P21917 2/20 0.32
HRH2 P25021 2/20 0.32
SLC6A4 P31645 2/20 0.32
HTR7 P34969 2/20 0.32
DRD3 P35462 2/20 0.32
HTR6 P50406 2/20 0.32
KCNH2 Q12809 2/20 0.32
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL8946923 0.91 HTR2C (0.36) HTR2CHTR2BHTR2AFPR2ADRB2
SCHEMBL8948143 0.90 FPR2 (0.31) FPR2
SCHEMBL8948279 0.90 FPR2 (0.31) FPR2
SCHEMBL8948180 0.89 FPR2 (0.32) FPR2
SCHEMBL8957234 0.88 HTR2C (0.36) HTR2CHTR2BHTR2AFPR2ADRB2
SCHEMBL13000760 0.88 FPR2 (0.38) FPR2
SCHEMBL8944833 0.86 HTR2C (0.36) HTR2CHTR2BHTR2AFPR2ADRB2
SCHEMBL13000761 0.86 FPR2 (0.33) FPR2
SCHEMBL8934980 0.86 HTR2C (0.37) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL9017451 0.85 HTR2C (0.32) HTR2CHTR2BHTR2AFPR2

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