SCHEMBL8939082

SCHEMBL8939082

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HTR2A P28223 1/20 0.31
CNR2 P34972 1/20 0.31
FPR2 P25090 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
SCHEMBL13922358 0.96 GABRA1 (0.38) GABRA1GABRB2HTR2CHTR2BHTR2A
SCHEMBL8939085 0.95 CNR2 (0.36) GABRA1GABRB2CNR2
SCHEMBL8939143 0.94 GABRA1 (0.36) GABRA1GABRB2CNR2
SCHEMBL8939095 0.93 GABRA1 (0.36) GABRA1GABRB2CNR2
SCHEMBL8939160 0.93 GABRA1 (0.36) GABRA1GABRB2CNR2
SCHEMBL8939132 0.93 GABRA1 (0.36) GABRA1GABRB2CNR2
SCHEMBL8939111 0.93 GABRA1 (0.36) GABRA1GABRB2CNR2
SCHEMBL8939079 0.92 GABRA1 (0.32) GABRA1GABRB2HTR2CHTR2B
SCHEMBL8937937 0.92 GABRA1 (0.38) GABRA1GABRB2HTR2CHTR2BHTR2A
SCHEMBL8936540 0.91 GABRA1 (0.39) GABRA1GABRB2CNR2FPR2

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