SCHEMBL13428797

SCHEMBL13428797

N#CCN1CCN(c2ccc(N3CC(CNC(=O)CF)OC3=O)cc2F)C=N1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.63
MAOB P27338 4/20 0.51
PTGS1 P23219 2/20 0.51
SDHA P31040 2/20 0.51
LMNA P02545 1/20 0.51
CALML3 P27482 1/20 0.51
F10 P00742 13/20 0.47

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
SCHEMBL11982944 1.00 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13428804 0.92 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL11969111 0.92 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL11982885 0.91 MAOA (0.76) MAOAMAOBPTGS1SDHALMNA
SCHEMBL11982896 0.90 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL11982926 0.90 MAOA (0.66) MAOAMAOBPTGS1SDHALMNA
SCHEMBL11982945 0.89 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13428884 0.89 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL11983070 0.88 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13428711 0.88 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA

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