SCHEMBL14219972

SCHEMBL14219972

C[C@H](Cc1ccc(CCC2CCC(c3ccc(C#N)c(F)c3)CC2)cc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
EP300 Q09472 7/20 0.34
HAT1 O14929 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CTSC P53634 3/20 0.32
CTSK P43235 3/20 0.32
CTSS P25774 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
MAOB P27338 1/20 0.31
ENPP2 Q13822 1/20 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
SCHEMBL14219928 0.94 AOC3 (0.37) AOC3EP300CHRM2CHRM4CHRM5
SCHEMBL14219967 0.94 AOC3 (0.37) AOC3EP300CHRM2CHRM4CHRM5
SCHEMBL14219913 0.91 CTSC (0.35) EP300HAT1CTSCCTSKENPP2
SCHEMBL14219598 0.88 EP300 (0.33) AOC3EP300CHRM2CHRM5CHRM1
SCHEMBL14219988 0.88 HCRTR1 (0.34) MAOB
SCHEMBL14219931 0.85 GRM2 (0.33) AOC3EP300HAT1CHRM2CHRM5
SCHEMBL14219961 0.85 GRM2 (0.33) AOC3EP300HAT1CHRM2CHRM5
SCHEMBL14219990 0.85 PPARG (0.33) MAOB
SCHEMBL14219596 0.85 PPARG (0.33) MAOB
SCHEMBL14219488 0.85 KDM4E (0.36) EP300CHRM2CHRM4CHRM5CHRM1

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
EP-1650285-B1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEM KK (JP) 2008-04-30 EP disclosed