SCHEMBL8934040

SCHEMBL8934040

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.33
HTR2B P41595 4/20 0.33
OPRL1 P41146 7/20 0.32
HTR2A P28223 6/20 0.32
FFAR4 Q5NUL3 1/20 0.32
DGAT1 O75907 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRB2 P07550 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
DRD4 P21917 1/20 0.30
HRH2 P25021 1/20 0.30
SLC6A4 P31645 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
SCHEMBL8960692 0.97 HTR2C (0.32) HTR2CHTR2BOPRL1HTR2AFFAR4
SCHEMBL8961138 0.97 HTR2C (0.31) HTR2CHTR2BOPRL1HTR2AFFAR4
SCHEMBL8933980 0.94 HTR2C (0.34) HTR2CHTR2BOPRL1HTR2AFFAR4
SCHEMBL8960227 0.91 HTR2C (0.33) HTR2CHTR2BOPRL1HTR2AFFAR4
SCHEMBL8935665 0.91 HTR2C (0.34) HTR2CHTR2BHTR2AMEN1ALDH1A1
SCHEMBL8935564 0.91 HTR2C (0.34) HTR2CHTR2BHTR2AMEN1ALDH1A1
SCHEMBL8935430 0.91 HTR2C (0.34) HTR2CHTR2BHTR2AMEN1ALDH1A1
SCHEMBL8934124 0.91 OPRL1 (0.34) OPRL1FFAR4DGAT1
SCHEMBL8934342 0.90 OPRL1 (0.34) OPRL1FFAR4DGAT1
SCHEMBL8934128 0.90 S1PR1 (0.35) OPRL1FFAR4DGAT1

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