SCHEMBL8949370

SCHEMBL8949370

C=CCOc1ccc(-c2ccc(-c3ccc(C4OCC(CCCCCCCC)CO4)cc3F)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.30
RARB P10826 1/20 0.30
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
SCHEMBL8949814 1.00 HTR2C (0.32) HTR2CHTR2BHTR2ARARBFPR2
SCHEMBL8949149 1.00 HTR2C (0.32) HTR2CHTR2BHTR2ARARBFPR2
SCHEMBL8948928 0.96 HTR2C (0.33) HTR2CHTR2BHTR2AFPR2
SCHEMBL8949875 0.92 CNR2 (0.31) FPR2
SCHEMBL8948493 0.91 KDM1A (0.36) RARBFPR2
SCHEMBL8949892 0.90 FPR2 (0.31) FPR2
SCHEMBL8948404 0.90 FPR2 (0.35) RARBFPR2
SCHEMBL8948497 0.90 FPR2 (0.35) RARBFPR2
SCHEMBL8948479 0.90 FPR2 (0.35) RARBFPR2
SCHEMBL8948506 0.90 FPR2 (0.33) RARBFPR2

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