SCHEMBL13428801

SCHEMBL13428801

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.62
MAOB P27338 5/20 0.51
LMNA P02545 1/20 0.50
PTGS1 P23219 1/20 0.50
CALML3 P27482 1/20 0.50
SDHA P31040 1/20 0.50
F10 P00742 13/20 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
SCHEMBL11968976 1.00 MAOA (0.62) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL13428877 0.93 MAOA (0.61) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL11969120 0.93 MAOA (0.61) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL11982896 0.92 MAOA (0.62) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL13428762 0.92 MAOA (0.59) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL11969688 0.92 MAOA (0.59) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL11968944 0.91 MAOA (0.76) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL13428804 0.90 MAOA (0.63) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL11969111 0.90 MAOA (0.63) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL11968880 0.90 MAOA (0.67) 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