SCHEMBL13428773

SCHEMBL13428773

CN1CCN(c2ccc(N3CC(CNc4ccon4)OC3=O)cc2F)C=N1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.71
CYP2E1 P05181 1/20 0.53
MAOB P27338 9/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 1/20 0.47
F10 P00742 6/20 0.41

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
SCHEMBL11969026 1.00 MAOA (0.71) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL13428775 0.90 MAOA (0.59) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL11969080 0.90 MAOA (0.59) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL11969704 0.90 MAOA (0.57) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL13428757 0.89 MAOA (0.62) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL11969076 0.89 MAOA (0.57) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL11969006 0.88 MAOA (0.54) MAOACYP2E1MAOBF10
SCHEMBL13428425 0.87 MAOA (0.58) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL11969035 0.86 MAOA (0.57) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL11969017 0.86 MAOA (0.54) MAOACYP2E1MAOBLMNAPTGS1

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