SCHEMBL8939085

SCHEMBL8939085

C=CC1CC=C(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

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

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
SCHEMBL8939143 0.97 GABRA1 (0.36) CNR2GABRA1GABRB2CNR1
SCHEMBL8939095 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2CNR1
SCHEMBL8939111 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2CNR1
SCHEMBL8939160 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2CNR1
SCHEMBL8939132 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2CNR1
SCHEMBL13922359 0.96 CNR2 (0.34) CNR2GABRA1GABRB2CNR1
SCHEMBL8939082 0.95 GABRA1 (0.39) CNR2GABRA1GABRB2
SCHEMBL13922360 0.92 GABRA1 (0.34) CNR2GABRA1GABRB2CNR1
SCHEMBL8937972 0.92 CNR2 (0.35) CNR2GABRA1GABRB2CNR1
SCHEMBL13922361 0.91 GABRA1 (0.34) CNR2GABRA1GABRB2CNR1

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-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