SCHEMBL30453385

SCHEMBL30453385

CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4c(Cl)cccc4Cl)c3)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.61
ATR Q13535 7/20 0.49
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL487911 1.00 MET (0.61) METATRHRH3
SCHEMBL30454114 1.00 MET (0.61) METATRHRH3
SCHEMBL488164 1.00 MET (0.61) METATRHRH3
SCHEMBL487996 0.94 MET (0.64) METATR
SCHEMBL30453881 0.94 MET (0.64) METATR
SCHEMBL487914 0.91 MET (0.62) METATRHRH3
SCHEMBL30454310 0.91 MET (0.62) METATRHRH3
SCHEMBL10217014 0.91 MET (0.49) METATRHRH3
SCHEMBL487662 0.88 MET (0.63) METATR
SCHEMBL30454119 0.88 MET (0.63) METATR

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed