SCHEMBL7157274

SCHEMBL7157274

CCOC(=S)NC[C@H]1CN(c2ccc(N3CCCSCC3)cc2)C(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
F10 P00742 16/20 0.51
ITGB3 P05106 3/20 0.49
PRSS1 P07477 3/20 0.49
PRSS2 P07478 3/20 0.49
ITGA2B P08514 3/20 0.49
PRSS3 P35030 3/20 0.49
F2 P00734 1/20 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
SCHEMBL7157275 1.00 MAOA (0.53) MAOAMAOBF10ITGB3PRSS1
SCHEMBL7161503 0.91 MAOA (0.55) MAOAMAOBF10ITGB3PRSS1
SCHEMBL7161497 0.91 MAOA (0.55) MAOAMAOBF10ITGB3PRSS1
SCHEMBL7160208 0.89 MAOB (0.71) MAOAMAOBF10
SCHEMBL7160205 0.89 MAOB (0.71) MAOAMAOBF10
SCHEMBL7154323 0.88 MAOA (0.54) MAOAMAOBF10F2
SCHEMBL7154325 0.88 MAOA (0.54) MAOAMAOBF10F2
SCHEMBL6040345 0.87 MAOA (0.60) MAOAMAOBF10ITGB3PRSS1
SCHEMBL6040338 0.87 MAOA (0.60) MAOAMAOBF10ITGB3PRSS1
SCHEMBL7157295 0.87 MAOA (0.59) MAOAMAOBF10ITGB3PRSS1

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
US-6537986-B2 With thiourea, thioamide, or dithiocarbamate functionality; (S)-N-(((3-(3-fluoro-4-morpholinyl)phenyl)-2-oxo-5 -oxazolidinyl)methyl)thioacetamide for example; treats multiple-resistant staphylococci PHARMACIA & UPJOHN COMPANY 2003-03-25 US claimed