SCHEMBL19985196

SCHEMBL19985196

CCCCCCCOc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.34
SCN9A Q15858 1/20 0.34
THRB P10828 2/20 0.33
FPR2 P25090 1/20 0.33
THRA P10827 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
S1PR5 Q9H228 2/20 0.32
S1PR1 P21453 1/20 0.32
PTPN1 P18031 1/20 0.32
MCHR1 Q99705 1/20 0.32
IKBKB O14920 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL19985178 1.00 HRH3 (0.34) HRH3SCN9ATHRBFPR2THRA
SCHEMBL19985204 1.00 HRH3 (0.34) HRH3SCN9ATHRBFPR2THRA
SCHEMBL19985182 1.00 HRH3 (0.34) HRH3SCN9ATHRBFPR2THRA
SCHEMBL19985181 0.99 SCN9A (0.34) HRH3SCN9ATHRBFPR2THRA
SCHEMBL12733633 0.96 HRH3 (0.36) HRH3SCN9ATHRBFPR2THRA
SCHEMBL12733634 0.96 HRH3 (0.36) HRH3SCN9ATHRBFPR2THRA
SCHEMBL19985194 0.95 SCN9A (0.37) HRH3SCN9AHTR1DHTR1BL3MBTL1
SCHEMBL12733631 0.95 SCN9A (0.36) HRH3SCN9ATHRBFPR2THRA
SCHEMBL19985465 0.91 HRH3 (0.36) HRH3SCN9ATHRBFPR2THRA
SCHEMBL19985461 0.91 HRH3 (0.36) HRH3SCN9ATHRBFPR2THRA

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