SCHEMBL14766817

SCHEMBL14766817

CCOc1ccc(COC2CCC(c3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.39
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR6 P50406 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KCNH2 Q12809 1/20 0.33
HTR2A P28223 2/20 0.33
ACACA Q13085 1/20 0.33
HCRTR2 O43614 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
FFAR1 O14842 1/20 0.32
SCN3A Q9NY46 1/20 0.32

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
SCHEMBL14766390 0.93 HTR1A (0.34) NAAAHTR1ACHRNB2CHRNA4HTR6
SCHEMBL12740275 0.93 NAAA (0.38) NAAAHTR1ACHRNB2CHRNA4HTR6
SCHEMBL12718656 0.93 NAAA (0.38) NAAAHTR1ACHRNB2CHRNA4HTR6
SCHEMBL12740270 0.92 NAAA (0.37) NAAAHTR1ACHRNB2CHRNA4HTR6
SCHEMBL14766940 0.91 NAAA (0.37) NAAAHTR1ACHRNB2CHRNA4HTR6
SCHEMBL12740271 0.90 NAAA (0.36) NAAAHTR1ACHRNB2CHRNA4HTR6
SCHEMBL12740277 0.90 NAAA (0.36) NAAAHTR1AHTR6MAOAMAOB
SCHEMBL14767021 0.90 NAAA (0.40) NAAAFFAR1
SCHEMBL14767273 0.90 FFAR4 (0.40) NAAAHTR6MAOBKCNH2ACACA
SCHEMBL12740272 0.89 NAAA (0.36) NAAAHTR1ACHRNB2CHRNA4HTR6

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed