SCHEMBL14922657

SCHEMBL14922657

CCCOc1ccc(C2=CCC(COc3ccc(C4CCC(c5ccc(OCC)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.32
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ ALOX5AP P20292 3/20 0.31
▸ FEN1 P39748 3/20 0.31
▸ FPR2 P25090 2/20 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
SCHEMBL14922659 0.95 SCN9A (0.32) SCN9AALOX5APFEN1
SCHEMBL14922528 0.92 FPR2 (0.31) FPR2
SCHEMBL15381639 0.92 HTR2C (0.32) HTR2CHTR2BHTR2A
SCHEMBL15381762 0.92 HTR2C (0.32) HTR2CHTR2BHTR2A
SCHEMBL14922619 0.90 FPR2 (0.32) HTR2CHTR2BHTR2AFPR2
SCHEMBL12197055 0.90 SCN9A (0.32) SCN9A
SCHEMBL14922597 0.90 HTR2C (0.33) HTR2CHTR2BHTR2AFPR2
SCHEMBL14922502 0.90 HTR2C (0.33) HTR2CHTR2BHTR2AFPR2
SCHEMBL14922660 0.88 SCN9A (0.31) SCN9A
SCHEMBL14922578 0.88 SCN9A (0.31) SCN9A

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-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
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