SCHEMBL4049327

SCHEMBL4049327

CCOC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCN(C(=O)O)C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 17/20 0.60
SLC6A2 P23975 12/20 0.60
SLC6A4 P31645 3/20 0.60
CHRM5 P08912 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM3 P20309 1/20 0.50
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL17485170 0.86 SLC6A3 (0.55) SLC6A3SLC6A2SLC6A4CHRM5CHRM1
SCHEMBL3197591 0.86 SLC6A3 (0.55) SLC6A3SLC6A2SLC6A4CHRM5CHRM1
SCHEMBL534910 0.84 CHRM5 (0.50) SLC6A3SLC6A2SLC6A4CHRM5CHRM1
SCHEMBL17474538 0.83 CHRM5 (0.60) SLC6A3SLC6A2SLC6A4CHRM5CHRM1
SCHEMBL14919952 0.81 CHRM5 (0.56) SLC6A3CHRM5CHRM1CHRM2CHRM4
SCHEMBL4756289 0.78 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4MAPTMAPK1
SCHEMBL3987591 0.77 SLC6A2 (0.50) SLC6A3SLC6A2SLC6A4CHRM5CHRM1
SCHEMBL3982599 0.76 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4CHRM5CHRM1
SCHEMBL5731017 0.73 CHRM5 (0.48) SLC6A3SLC6A2SLC6A4CHRM5CHRM1
SCHEMBL3194232 0.73 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4

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
WO-2009109608-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-09-11 WO disclosed