SCHEMBL8944502

SCHEMBL8944502

C/C=C/C1CCC(c2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 12/20 0.37
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HTR2A P28223 1/20 0.31
PDE4A P27815 2/20 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
SCHEMBL8944487 0.95 FPR2 (0.33) FPR2PDE4A
SCHEMBL8944239 0.95 FPR2 (0.34) FPR2GABRA1GABRB2
SCHEMBL8944489 0.94 FPR2 (0.34) FPR2GABRA1GABRB2
SCHEMBL8944483 0.94 FPR2 (0.34) FPR2GABRA1GABRB2
SCHEMBL18718729 0.94 FPR2 (0.35) FPR2GABRA1GABRB2HTR2CHTR2B
SCHEMBL8944202 0.94 FPR2 (0.35) FPR2
SCHEMBL13579240 0.93 FPR2 (0.35) FPR2GABRA1GABRB2HTR2CHTR2B
SCHEMBL13579336 0.93 FPR2 (0.35) FPR2GABRA1GABRB2HTR2CHTR2B
SCHEMBL13579456 0.93 FPR2 (0.35) FPR2GABRA1GABRB2HTR2CHTR2B
SCHEMBL8944426 0.90 GABRA1 (0.39) FPR2GABRA1GABRB2HTR2CHTR2B

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