SCHEMBL8945934

SCHEMBL8945934

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)cc2F)CO1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
FPR2 P25090 9/20 0.35
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HTR2A P28223 1/20 0.33
CNR2 P34972 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL8945902 0.95 CNR2 (0.36) GABRA1GABRB2FPR2HTR2CCNR2
SCHEMBL8945689 0.95 GABRA1 (0.35) GABRA1GABRB2FPR2CNR2
SCHEMBL8945736 0.94 GABRA1 (0.35) GABRA1GABRB2FPR2CNR2
SCHEMBL8945944 0.94 GABRA1 (0.35) GABRA1GABRB2FPR2CNR2
SCHEMBL8945717 0.94 GABRA1 (0.35) GABRA1GABRB2FPR2CNR2
SCHEMBL8945694 0.94 GABRA1 (0.35) GABRA1GABRB2FPR2CNR2
SCHEMBL8945926 0.94 FPR2 (0.34) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL18718454 0.92 CNR2 (0.39) GABRA1GABRB2FPR2HTR2CCNR2
SCHEMBL8947428 0.92 GABRA1 (0.39) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL8946117 0.90 FPR2 (0.35) 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