SCHEMBL14219598

SCHEMBL14219598

C[C@@H](Cc1ccc(CCC2CCC(c3cc(F)c(C#N)c(F)c3)CC2)cc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 1/20 0.33
CXCR2 P25025 1/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSC P53634 1/20 0.33
MAOB P27338 1/20 0.32
CHRM5 P08912 1/20 0.32
GRM2 Q14416 1/20 0.32
AOC3 Q16853 1/20 0.31
CNR1 P21554 3/20 0.31
CNR2 P34972 3/20 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
SCHEMBL14219961 0.93 GRM2 (0.33) EP300CHRM2CHRM1CXCR2CHRM5
SCHEMBL14219931 0.93 GRM2 (0.33) EP300CHRM2CHRM1CXCR2CHRM5
SCHEMBL14219461 0.89 CXCR2 (0.36) EP300CXCR2CTSSCTSKCTSL
SCHEMBL14219972 0.88 AOC3 (0.37) EP300CHRM2CHRM1CTSSCTSK
SCHEMBL14219964 0.86 MAOB (0.34) MAOB
SCHEMBL14219479 0.86 MAOB (0.34) MAOB
SCHEMBL14219934 0.86 EP300 (0.40) EP300MAOB
SCHEMBL14219945 0.86 EP300 (0.40) EP300MAOB
SCHEMBL14219988 0.85 HCRTR1 (0.34) MAOB
SCHEMBL14219571 0.84 MAOB (0.32) MAOB

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