SCHEMBL8941522

SCHEMBL8941522

C=CCOc1ccc(-c2ccc(-c3ccc(C4CCC(/C=C/C)CO4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.32
HTR2A P28223 5/20 0.32
HTR2B P41595 4/20 0.32
ADRB2 P07550 2/20 0.31
HTR1A P08908 2/20 0.31
CHRM5 P08912 2/20 0.31
ADRA2A P08913 2/20 0.31
DRD2 P14416 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
DRD4 P21917 2/20 0.31
HRH2 P25021 2/20 0.31
SLC6A4 P31645 2/20 0.31
HTR7 P34969 2/20 0.31
DRD3 P35462 2/20 0.31
HTR6 P50406 2/20 0.31
KCNH2 Q12809 2/20 0.31
GYS1 P13807 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
SCHEMBL8941479 0.92 HTR2C (0.34) HTR2CHTR2AHTR2BADRB2HTR1A
SCHEMBL8941523 0.92 FPR2 (0.32)
SCHEMBL13263195 0.89
SCHEMBL8941474 0.89 FPR2 (0.33) HTR2CHTR2AHTR2B
SCHEMBL8950897 0.88 HTR2C (0.33) HTR2CHTR2AHTR2BADRB2HTR1A
SCHEMBL18718335 0.88 FPR2 (0.35)
SCHEMBL8941533 0.88 S1PR1 (0.33)
SCHEMBL8942077 0.87 HTR2C (0.34) HTR2CHTR2AHTR2BADRB2HTR1A
SCHEMBL8941619 0.87 NAAA (0.33) HTR2CSLC6A4
SCHEMBL8941564 0.87 FPR2 (0.33)

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 3 patents. 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
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
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP disclosed