SCHEMBL30453358

SCHEMBL30453358

CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4ccc(C(C)(C)C)cc4)c3)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.63
MAP4K4 O95819 1/20 0.47
ATR Q13535 7/20 0.47
HRH3 Q9Y5N1 5/20 0.44
MCHR1 Q99705 1/20 0.44
KCNH2 Q12809 1/20 0.43
MAP4K3 Q8IVH8 1/20 0.42

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
SCHEMBL10215335 1.00 MET (0.63) METMAP4K4ATRHRH3MCHR1
SCHEMBL487936 1.00 MET (0.63) METMAP4K4ATRHRH3MCHR1
SCHEMBL30453882 0.84 MET (0.65) METMAP4K4KCNH2
SCHEMBL487799 0.84 MET (0.65) METMAP4K4KCNH2
SCHEMBL30454669 0.84 MET (0.65) METMAP4K4KCNH2
SCHEMBL488365 0.84 MET (0.65) METMAP4K4KCNH2
SCHEMBL30453385 0.83 MET (0.61) METATRHRH3
SCHEMBL488164 0.83 MET (0.61) METATRHRH3
SCHEMBL30454114 0.83 MET (0.61) METATRHRH3
SCHEMBL487911 0.83 MET (0.61) METATRHRH3

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