SCHEMBL8944839

SCHEMBL8944839

CCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)OC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 16/20 0.36
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
PDE4B Q07343 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL18718392 0.96 FPR2 (0.39) FPR2HTR2CHTR2BHTR2AFFAR4
SCHEMBL8945178 0.95 RARB (0.33) FPR2FFAR4
SCHEMBL8944909 0.94 FPR2 (0.35) FPR2
SCHEMBL8944889 0.94 FPR2 (0.34) FPR2FFAR4
SCHEMBL8945052 0.94 FPR2 (0.35) FPR2
SCHEMBL8945037 0.94 FPR2 (0.35) FPR2
SCHEMBL8945183 0.94 FPR2 (0.35) FPR2
SCHEMBL8945027 0.94 FPR2 (0.35) FPR2
SCHEMBL8945284 0.94 FPR2 (0.35) FPR2HTR2CHTR2BHTR2A
SCHEMBL8945704 0.93 FPR2 (0.34) FPR2HTR2CHTR2BHTR2A

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