SCHEMBL19985459

SCHEMBL19985459

CCCCCOc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.34
FPR2 P25090 4/20 0.34
SCN9A Q15858 1/20 0.34
ALOX5AP P20292 4/20 0.33
FEN1 P39748 4/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
MCHR1 Q99705 2/20 0.33
IKBKB O14920 3/20 0.32
CYP2C9 P11712 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL19985461 0.99 HRH3 (0.36) HRH3FPR2SCN9AALOX5APFEN1
SCHEMBL19985465 0.99 HRH3 (0.36) HRH3FPR2SCN9AALOX5APFEN1
SCHEMBL19985472 0.99 HRH3 (0.36) HRH3FPR2SCN9AALOX5APFEN1
SCHEMBL19985462 0.99 HRH3 (0.36) HRH3FPR2SCN9AALOX5APFEN1
SCHEMBL19985458 0.96 SCN9A (0.36) HRH3FPR2SCN9AALOX5APFEN1
SCHEMBL12733631 0.95 SCN9A (0.36) HRH3FPR2SCN9AHTR1DHTR1B
SCHEMBL12733634 0.94 HRH3 (0.36) HRH3FPR2SCN9AHTR1DHTR1B
SCHEMBL12733633 0.94 HRH3 (0.36) HRH3FPR2SCN9AHTR1DHTR1B
SCHEMBL19985460 0.92 FPR2 (0.39) FPR2ALOX5APFEN1HTR1DHTR1B
SCHEMBL19985181 0.91 SCN9A (0.34) HRH3FPR2SCN9AHTR1DHTR1B

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