SCHEMBL30452497

SCHEMBL30452497

CN1CCN(C(=O)c2cc3cc(-c4cnc(N)c(OCc5c(Cl)cccc5Cl)c4)ccc3[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.52
HRH4 Q9H3N8 13/20 0.50
HRH3 Q9Y5N1 3/20 0.50
HRH1 P35367 1/20 0.50
ABCB1 P08183 3/20 0.47

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
SCHEMBL487621 1.00 MET (0.52) METHRH4HRH3HRH1ABCB1
SCHEMBL487846 0.87 MET (0.50) METABCB1
SCHEMBL30453573 0.87 MET (0.50) METABCB1
SCHEMBL487826 0.86 MET (0.48) METABCB1
SCHEMBL30453239 0.86 MET (0.48) METABCB1
SCHEMBL10215231 0.86 MET (0.48) METHRH4ABCB1
SCHEMBL488203 0.84 MET (0.61) MET
SCHEMBL30452997 0.84 MET (0.61) MET
SCHEMBL5484750 0.84 MET (0.58) METABCB1
SCHEMBL30453146 0.84 MET (0.63) MET

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