SCHEMBL19985468

SCHEMBL19985468

CCCOc1ccc(-c2ccc(C3CCC(CC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.38
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HTR2A P28223 1/20 0.35
ALOX5AP P20292 8/20 0.34
FEN1 P39748 8/20 0.34
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL9630137 0.95 HTR2C (0.38) FPR2HTR2CHTR2BHTR2AALOX5AP
SCHEMBL19985470 0.94 SCN9A (0.36) FPR2ALOX5APFEN1HTR1DHTR1B
SCHEMBL19985464 0.93 ALOX5AP (0.33) FPR2ALOX5APFEN1HTR1DHTR1B
SCHEMBL19985475 0.91 CNR1 (0.34) FPR2ALOX5APFEN1HTR1DHTR1B
SCHEMBL19985473 0.91 CNR1 (0.34) FPR2ALOX5APFEN1HTR1DHTR1B
SCHEMBL19985476 0.91 CNR1 (0.34) FPR2ALOX5APFEN1HTR1DHTR1B
SCHEMBL19985466 0.91 CNR1 (0.34) FPR2ALOX5APFEN1HTR1DHTR1B
SCHEMBL14235005 0.91 FPR2 (0.37) FPR2HTR2CHTR2BHTR2AALOX5AP
SCHEMBL13405762 0.91 HTR2C (0.36) FPR2HTR2CHTR2BHTR2AALOX5AP
SCHEMBL9631267 0.91 HTR2C (0.36) FPR2HTR2CHTR2BHTR2AALOX5AP

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