SCHEMBL8947824

SCHEMBL8947824

C=CCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2F)CO1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.32
FPR2 P25090 3/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CNR1 P21554 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL8947842 0.97 FPR2 (0.33) CNR2FPR2GABRA1GABRB2CNR1
SCHEMBL8947864 0.96 FPR2 (0.33) CNR2FPR2GABRA1GABRB2
SCHEMBL8947897 0.96 FPR2 (0.33) CNR2FPR2GABRA1GABRB2
SCHEMBL8947845 0.96 FPR2 (0.33) CNR2FPR2GABRA1GABRB2
SCHEMBL8947776 0.95 FPR2 (0.35) FPR2GABRA1GABRB2
SCHEMBL8947753 0.93 FPR2 (0.34) FPR2
SCHEMBL8946334 0.92 CNR2 (0.32) CNR2GABRA1GABRB2CNR1
SCHEMBL13579251 0.92 ALOX5 (0.34) CNR2FPR2GABRA1GABRB2CNR1
SCHEMBL8947057 0.91 FPR2 (0.34) FPR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8947564 0.90 FPR2 (0.31) FPR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed