SCHEMBL19986380

SCHEMBL19986380

C=CCOc1ccc(-c2ccc(C3CCCCC3)c(F)c2F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.38
HTR2B P41595 5/20 0.38
HTR2A P28223 7/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
FEN1 P39748 6/20 0.36
ALOX5AP P20292 3/20 0.36
ADRB2 P07550 2/20 0.35
HTR1A P08908 2/20 0.35
CHRM5 P08912 2/20 0.35
ADRA2A P08913 2/20 0.35
DRD2 P14416 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
DRD4 P21917 2/20 0.35
HRH2 P25021 2/20 0.35
SLC6A4 P31645 2/20 0.35
HTR7 P34969 2/20 0.35
DRD3 P35462 2/20 0.35
HTR6 P50406 2/20 0.35
KCNH2 Q12809 2/20 0.35

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
SCHEMBL20052525 0.95 HTR2C (0.41) HTR2CHTR2BHTR2APTGDR2ADRB2
SCHEMBL8934901 0.94 FEN1 (0.38) HTR2CHTR2BHTR2APTGDR2FEN1
SCHEMBL19985581 0.87 HTR2C (0.39) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL19986385 0.87 FEN1 (0.37) PTGDR2FEN1ALOX5APPTGDR
SCHEMBL8961823 0.87 HTR2C (0.34) HTR2CHTR2BHTR2APTGDR2FEN1
SCHEMBL18517278 0.87 HTR2C (0.38) HTR2CHTR2BHTR2APTGDR2ADRB2
SCHEMBL19985588 0.85 HTR2C (0.39) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL19986386 0.85 PTGDR2 (0.36) PTGDR2FEN1ALOX5APPTGDR
SCHEMBL8934201 0.84 PTGDR2 (0.41) HTR2CHTR2BHTR2APTGDR2FEN1
SCHEMBL19986372 0.83 PTGDR2 (0.40) PTGDR2FEN1ALOX5APPTGDR

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-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed