SCHEMBL8077290

SCHEMBL8077290

CCCC1CCC(C2CCC(c3ccc(OCCCF)c(F)c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
FPR2 P25090 1/20 0.32
HTR2C P28335 8/20 0.32
HTR2A P28223 5/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
HTR2B P41595 6/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN9A Q15858 1/20 0.31
OPRL1 P41146 2/20 0.31
PPARG P37231 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 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
SCHEMBL14235296 0.93 SCN9A (0.36) CYP2C9HTR2CHTR1DHTR1BALDH1A1
SCHEMBL26209558 0.93 SCN9A (0.36) CYP2C9HTR2CHTR1DHTR1BALDH1A1
SCHEMBL9631254 0.92 SCN9A (0.33) CYP2C9FPR2HTR1DHTR1BALDH1A1
SCHEMBL9631246 0.92 SCN9A (0.33) CYP2C9FPR2HTR1DHTR1BALDH1A1
SCHEMBL15803732 0.91 MCHR1 (0.34) CYP2C9HTR1DHTR1BALDH1A1MAPT
SCHEMBL12140864 0.91 HTR2C (0.35) CYP2C9FPR2HTR2CHTR2AHTR1D
SCHEMBL7858136 0.91 HTR2C (0.35) CYP2C9FPR2HTR2CHTR2AHTR1D
SCHEMBL30201447 0.91 HTR2C (0.35) CYP2C9FPR2HTR2CHTR2AHTR1D
SCHEMBL19985184 0.91 CNR1 (0.34) CYP2C9FPR2HTR1DHTR1BSCN9A
SCHEMBL9630574 0.91 CNR1 (0.34) CYP2C9FPR2HTR1DHTR1BSCN9A

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
EP-1026142-A1 2,3-DIFLUOROPHENYL DERIVATIVES HAVING NEGATIVE VALUE OF PERMITTIVITY ANISOTROPY, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2000-08-09 EP disclosed