SCHEMBL7156352

SCHEMBL7156352

O=C(CS)NCC1CN(c2cc(F)c(N3CCSCC3)c(F)c2)C(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.60
MAOB P27338 4/20 0.60
F10 P00742 12/20 0.55
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 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
SCHEMBL23833820 0.89 MAOA (0.59) MAOAMAOBF10LMNAPTGS1
SCHEMBL7955697 0.89 MAOA (0.61) MAOAMAOBF10LMNAPTGS1
SCHEMBL5727236 0.89 MAOA (0.63) MAOAMAOBF10LMNAPTGS1
SCHEMBL6266506 0.88 MAOA (0.77) MAOAMAOBF10LMNAPTGS1
SCHEMBL6040545 0.87 MAOB (0.79) MAOAMAOBF10LMNAPTGS1
Methyl Alcohol SCHEMBL23833819 0.87 MAOA (0.75) MAOAMAOBF10LMNAPTGS1
SCHEMBL18410237 0.86 MAOB (0.62) MAOAMAOBF10LMNAPTGS1
SCHEMBL18410532 0.86 MAOA (0.63) MAOAMAOBF10LMNAPTGS1
SCHEMBL6162190 0.85 F10 (0.55) MAOAMAOBF10LMNAPTGS1
SCHEMBL20295942 0.85 MAOA (0.59) MAOAMAOBF10LMNAPTGS1

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 4 patents. 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 disclosed
US-6362189-B1 GRAMNEGATIVE, GRAMPOSITIVE BACTERIA PHARMACIA AND UPJOHN COMPANY 2002-03-26 US disclosed
US-6342513-B1 THIOCARBONYLAMIDES ON OXAZO-, ISOOXAZOLE OR FURANONE RINGS FOR USE AS BACTERICIDES PHARMACIA AND UPJOHN COMPANY 2002-01-29 US disclosed
US-6255304-B1 AIDS THERAPY PHARMACIA & UPJOHN COMPANY 2001-07-03 US disclosed