SCHEMBL8947428

SCHEMBL8947428

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
FPR2 P25090 15/20 0.37
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HTR2A P28223 1/20 0.33
CNR2 P34972 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
SCHEMBL8947434 0.95 CNR2 (0.36) GABRA1GABRB2FPR2HTR2CCNR2
SCHEMBL8947437 0.94 GABRA1 (0.36) GABRA1GABRB2FPR2CNR2
SCHEMBL8947445 0.93 GABRA1 (0.36) GABRA1GABRB2FPR2CNR2
SCHEMBL8947449 0.93 GABRA1 (0.36) GABRA1GABRB2FPR2CNR2
SCHEMBL8947442 0.93 GABRA1 (0.36) GABRA1GABRB2FPR2CNR2
SCHEMBL8947455 0.93 GABRA1 (0.36) GABRA1GABRB2FPR2CNR2
SCHEMBL8947422 0.93 FPR2 (0.36) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL8945934 0.92 GABRA1 (0.38) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL13579239 0.91 GABRA1 (0.40) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL13579455 0.90 GABRA1 (0.39) GABRA1GABRB2FPR2HTR2CHTR2B

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