SCHEMBL13428789

SCHEMBL13428789

CC(=O)NCC1CN(c2ccc(N3C=NN(C)CC3)cc2)C(=O)O1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.76
MAOB P27338 2/20 0.53
LMNA P02545 1/20 0.53
PTGS1 P23219 1/20 0.53
CALML3 P27482 1/20 0.53
SDHA P31040 1/20 0.53
F10 P00742 8/20 0.49
ABCB11 O95342 1/20 0.49

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
SCHEMBL11968857 1.00 MAOA (0.76) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL11969084 0.87 MAOA (0.60) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL13428727 0.87 MAOA (0.60) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL11969018 0.87 MAOA (0.60) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL11968982 0.87 MAOA (1.00) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL11968874 0.85 MAOA (0.79) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL11968859 0.83 MAOA (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL11968854 0.83 MAOA (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL13298924 0.81 MAOA (0.61) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL15458156 0.81 MAOA (0.73) MAOAMAOBLMNAPTGS1CALML3

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
WO-2010036000-A2 NOVEL OXAZOLIDINONE DERIVATIVES WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AND PHARMACEUTICAL COMPOSITIONS THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2010-04-01 WO disclosed