SCHEMBL13428533

SCHEMBL13428533

O=C1O[C@@H](CNc2ccon2)CN1c1ccc(N2CCNNC2)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.60
CYP2E1 P05181 1/20 0.53
F10 P00742 6/20 0.48
MAOB P27338 11/20 0.48
LMNA P02545 1/20 0.48
PTGS1 P23219 1/20 0.48
CALML3 P27482 1/20 0.48
SDHA P31040 1/20 0.48

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
SCHEMBL6110851 0.90 MAOA (0.62) MAOACYP2E1F10MAOBLMNA
SCHEMBL13271757 0.87 MAOA (0.59) MAOACYP2E1F10MAOBLMNA
SCHEMBL5833644 0.86 MAOB (0.65) MAOACYP2E1F10MAOBLMNA
SCHEMBL5833650 0.86 MAOB (0.65) MAOACYP2E1F10MAOBLMNA
SCHEMBL11969693 0.83 MAOA (0.58) MAOACYP2E1F10MAOBLMNA
SCHEMBL18409560 0.82 MAOA (0.61) MAOACYP2E1F10MAOBLMNA
SCHEMBL3323189 0.82 MAOA (0.79) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL3323187 0.82 MAOA (0.79) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL3323196 0.82 MAOA (0.79) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL30817026 0.82 MAOA (0.59) MAOACYP2E1F10MAOBLMNA

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