SCHEMBL19985461

SCHEMBL19985461

CCCCCCOc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
MCHR1 Q99705 2/20 0.34
FPR2 P25090 4/20 0.33
IKBKB O14920 2/20 0.33
SCN9A Q15858 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
THRB P10828 2/20 0.32
THRA P10827 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 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
SCHEMBL19985465 1.00 HRH3 (0.36) HRH3MCHR1FPR2IKBKBSCN9A
SCHEMBL19985472 1.00 HRH3 (0.36) HRH3MCHR1FPR2IKBKBSCN9A
SCHEMBL19985462 1.00 HRH3 (0.36) HRH3MCHR1FPR2IKBKBSCN9A
SCHEMBL19985459 0.99 HRH3 (0.34) HRH3MCHR1FPR2IKBKBSCN9A
SCHEMBL19985458 0.95 SCN9A (0.36) HRH3FPR2IKBKBSCN9AALOX5AP
SCHEMBL12733633 0.95 HRH3 (0.36) HRH3MCHR1FPR2IKBKBSCN9A
SCHEMBL12733634 0.95 HRH3 (0.36) HRH3MCHR1FPR2IKBKBSCN9A
SCHEMBL12733631 0.94 SCN9A (0.36) HRH3MCHR1FPR2IKBKBSCN9A
SCHEMBL10008503 0.93 L3MBTL1 (0.38) MCHR1FPR2IKBKBSCN9ACNR1
SCHEMBL10008504 0.93 L3MBTL1 (0.38) MCHR1FPR2IKBKBSCN9ACNR1

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