SCHEMBL30454329

SCHEMBL30454329

CN(C)[C@H]1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4ccccc4C#N)c3)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.63
ATR Q13535 7/20 0.49
KDM1A O60341 2/20 0.44
MAP4K4 O95819 1/20 0.43
EGLN1 Q9GZT9 2/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL488078 1.00 MET (0.63) METATRKDM1AMAP4K4EGLN1
SCHEMBL28758853 0.91 MET (0.52) METATRKDM1AMAP4K4EGLN1
SCHEMBL488476 0.90 MET (0.68) METKDM1AMAP4K4
SCHEMBL14631832 0.90 MET (0.68) METKDM1AMAP4K4
SCHEMBL30453219 0.90 MET (0.68) METKDM1AMAP4K4
SCHEMBL487914 0.88 MET (0.62) METATRMAP4K4HRH3
SCHEMBL30454310 0.88 MET (0.62) METATRMAP4K4HRH3
SCHEMBL487895 0.87 MET (0.64) METATRMAP4K4HRH3
SCHEMBL30453509 0.87 MET (0.64) METATRMAP4K4HRH3
SCHEMBL14631977 0.87 MET (0.64) METATRMAP4K4HRH3

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