SCHEMBL8947434

SCHEMBL8947434

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2F)CO1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CNR1 P21554 1/20 0.34
FPR2 P25090 8/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2C P28335 2/20 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
SCHEMBL8947437 0.97 GABRA1 (0.36) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8947449 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8947455 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8947445 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8947442 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8947428 0.95 GABRA1 (0.39) CNR2GABRA1GABRB2FPR2HTR2C
SCHEMBL8947422 0.92 FPR2 (0.36) GABRA1GABRB2FPR2HTR2C
SCHEMBL8945902 0.92 CNR2 (0.36) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL18718454 0.92 CNR2 (0.39) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL18719253 0.92 CNR2 (0.39) CNR2GABRA1GABRB2CNR1FPR2

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