SCHEMBL7161503

SCHEMBL7161503

COC(=S)NCC1CN(c2ccc(N3CCCSCC3)cc2)C(=O)O1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
F10 P00742 17/20 0.53
F2 P00734 2/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
ITGB3 P05106 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
ITGA2B P08514 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL7161497 1.00 MAOA (0.55) MAOAMAOBF10F2LMNA
SCHEMBL7157295 0.96 MAOA (0.59) MAOAMAOBF10F2LMNA
SCHEMBL7157299 0.96 MAOA (0.59) MAOAMAOBF10F2LMNA
SCHEMBL7157274 0.91 MAOA (0.53) MAOAMAOBF10F2ITGB3
SCHEMBL7157275 0.91 MAOA (0.53) MAOAMAOBF10F2ITGB3
SCHEMBL7154325 0.91 MAOA (0.54) MAOAMAOBF10F2LMNA
SCHEMBL7154323 0.91 MAOA (0.54) MAOAMAOBF10F2LMNA
SCHEMBL6040338 0.90 MAOA (0.60) MAOAMAOBF10F2LMNA
SCHEMBL6040345 0.90 MAOA (0.60) MAOAMAOBF10F2LMNA
SCHEMBL18410315 0.89 F10 (0.56) MAOAMAOBF10F2ITGB3

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