SCHEMBL13428657

SCHEMBL13428657

O=CN1CCN(c2c(F)cc(N3C[C@H](CNC4C=CON4)OC3=O)cc2F)C=N1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.41
MAOB P27338 8/20 0.34
CALML3 P27482 2/20 0.34
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.34
SDHA P31040 1/20 0.34
CYP2E1 P05181 1/20 0.34
F10 P00742 4/20 0.33

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
SCHEMBL11969138 0.81 CALML3 (0.48) MAOAMAOBCALML3
SCHEMBL11968861 0.80 MAOA (0.62) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL11969270 0.80 MAOA (0.55) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL13428754 0.80 MAOA (0.55) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL11969254 0.78 MAOA (0.49) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL11969086 0.78 CYP2E1 (0.57) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL11969868 0.75 MAOA (0.56) MAOAMAOB
SCHEMBL13428879 0.74 MAOA (0.61) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL11969552 0.74 MAOA (0.61) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL13428679 0.74 MAOA (0.37) MAOAMAOBCALML3

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