SCHEMBL8963328

SCHEMBL8963328

C=CCCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCCCCC)c(F)c5F)cc4)c(F)c3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 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
SCHEMBL8963398 0.99 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8963219 0.99 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8963180 0.99 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8963396 0.99 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8963123 0.97 CNR2 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL8935646 0.97 GABRA1 (0.35) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8935663 0.96 GABRA1 (0.34) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8935643 0.96 GABRA1 (0.34) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8935649 0.96 GABRA1 (0.34) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8935681 0.96 GABRA1 (0.34) GABRA1GABRB2CNR2CNR1FPR2

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