SCHEMBL7702033

SCHEMBL7702033

O=C(NC[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(Cl)Cl

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.53
MAOA P21397 6/20 0.51
MAOB P27338 3/20 0.48
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
SCHEMBL7702035 0.93 MAOA (0.52) F10MAOAMAOBLMNAPTGS1
SCHEMBL8169151 0.93 MAOA (0.52) F10MAOAMAOBLMNAPTGS1
SCHEMBL5738893 0.89 MAOA (0.54) F10MAOAMAOBLMNAPTGS1
SCHEMBL6397715 0.88 F10 (0.52) F10MAOAMAOBLMNAPTGS1
SCHEMBL6397708 0.88 F10 (0.52) F10MAOAMAOBLMNAPTGS1
SCHEMBL5209849 0.88 MAOA (0.64) F10MAOAMAOBLMNAPTGS1
SCHEMBL8163144 0.87 MAOA (0.48) F10MAOAMAOBLMNAPTGS1
SCHEMBL8163146 0.87 MAOA (0.48) F10MAOAMAOBLMNAPTGS1
SCHEMBL8169581 0.87 MAOA (0.48) F10MAOAMAOBLMNAPTGS1
SCHEMBL6963059 0.87 MAOA (0.48) F10MAOAMAOBLMNAPTGS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254906-A1 Tetrahydrothiopyran phenyloxazolidinone S,S-dioxides PHARMACIA & UPJOHN COMPANY (US) 2002-11-06 EP claimed
US-6083967-A ANTIMICROBIAL AGENTS; ASSAY FOR DETERMINING THE INHIBITORY ACTIVITY OF OXAZOLIDINONES TO HUMAN MONOAMINE OXIDASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-04 US claimed
EP-1254906-A1 Tetrahydrothiopyran phenyloxazolidinone S,S-dioxides PHARMACIA & UPJOHN COMPANY (US) 2002-11-06 EP disclosed
US-6265178-B1 Assay for determining oxazolidinone antibiotics having minimum monoamine oxidase inhibitory activity PHARMACIA & UPJOHN COMPANY 2001-07-24 US disclosed
US-6083967-A ANTIMICROBIAL AGENTS; ASSAY FOR DETERMINING THE INHIBITORY ACTIVITY OF OXAZOLIDINONES TO HUMAN MONOAMINE OXIDASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-04 US disclosed