SCHEMBL30454310

SCHEMBL30454310

CN(C)[C@H]1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4ccccc4Cl)c3)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.62
ATR Q13535 7/20 0.51
MAP4K3 Q8IVH8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
MAP4K4 O95819 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
SCHEMBL487914 1.00 MET (0.62) METATRMAP4K3HRH3MAP4K4
SCHEMBL30453497 0.91 MET (0.62) METATRHRH3
SCHEMBL488305 0.91 MET (0.62) METATRHRH3
SCHEMBL30454114 0.91 MET (0.61) METATRHRH3
SCHEMBL30453385 0.91 MET (0.61) METATRHRH3
SCHEMBL488164 0.91 MET (0.61) METATRHRH3
SCHEMBL487911 0.91 MET (0.61) METATRHRH3
SCHEMBL487661 0.90 MET (0.54) METATRMAP4K4
SCHEMBL30453159 0.90 MET (0.54) METATRMAP4K4
SCHEMBL487895 0.89 MET (0.64) METATRMAP4K3HRH3MAP4K4

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