SCHEMBL6582837

SCHEMBL6582837

CCOC(=O)N1CCC(N2CCC(n3c(=O)n(S(C)(=O)=O)c4ccc(F)cc43)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.50
CHRM1 P11229 3/20 0.50
CHRM3 P20309 2/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6577973 0.90 CHRM1 (0.41) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL6580485 0.87 CHRM1 (0.62) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL6578018 0.87 CHRM1 (0.41) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL6577699 0.80 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRM4CHRM5
Hydrochloric Acid SCHEMBL6768431 0.79 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL6578112 0.78 GAA (0.41) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL6577964 0.77 CHRM1 (0.48) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL6580008 0.76 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL6580102 0.75 CHRM1 (0.41) CHRM2CHRM1CHRM3CHRM4CHRM5
Hydrochloric Acid SCHEMBL6577824 0.75 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRM4CHRM5

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-1221443-B1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-01 EP claimed