SCHEMBL30453749

SCHEMBL30453749

Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1cc(F)ccc1C(F)(F)F

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.84
ALK Q9UM73 4/20 0.54
CSF1R P07333 1/20 0.49
ATR Q13535 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL489607 1.00 MET (0.84) METALKCSF1RATRHRH3
SCHEMBL488045 1.00 MET (0.84) METALKCSF1RATRHRH3
SCHEMBL5493101 0.94 MET (0.84) METALKCSF1RATRHRH3
SCHEMBL488004 0.94 MET (0.84) METALKCSF1RATRHRH3
SCHEMBL30453414 0.94 MET (0.84) METALKCSF1RATRHRH3
SCHEMBL30454763 0.92 MET (1.00) METALKCSF1RATR
SCHEMBL488384 0.92 MET (1.00) METALKCSF1RATR
SCHEMBL30453981 0.92 MET (1.00) METALKCSF1RATR
SCHEMBL487882 0.92 MET (1.00) METALKCSF1RATR
SCHEMBL488267 0.88 MET (0.87) METALKCSF1R

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