SCHEMBL6961483

SCHEMBL6961483

NCC1CN(c2ccc(C3CC[S+]([O-])CC3)c(F)c2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.52
F10 P00742 2/20 0.44
CALML3 P27482 7/20 0.43
MAOB P27338 5/20 0.41
GRM2 Q14416 1/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
SDHA P31040 1/20 0.39

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
SCHEMBL6164483 1.00 MAOA (0.52) MAOAF10CALML3MAOBGRM2
SCHEMBL6161767 1.00 MAOA (0.52) MAOAF10CALML3MAOBGRM2
SCHEMBL5889283 1.00 MAOA (0.52) MAOAF10CALML3MAOBGRM2
SCHEMBL7928594 0.89 CALML3 (0.55) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6162646 0.85 MAOA (0.46) MAOAF10CALML3MAOBGRM2
SCHEMBL6160493 0.85 MAOA (0.46) MAOAF10CALML3MAOBGRM2
SCHEMBL6160497 0.85 MAOA (0.46) MAOAF10CALML3MAOBGRM2
SCHEMBL6703133 0.85 MAOA (0.53) MAOAF10CALML3MAOB
SCHEMBL5739005 0.85 MAOA (0.56) MAOAF10CALML3MAOBLMNA
SCHEMBL6160751 0.85 MAOA (0.52) MAOAF10CALML3MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036074-B1 S-OXIDE TETRAHYDROTHIOPYRAN PHENYLOXAZOLIDINONES UPJOHN CO (US) 2003-01-29 EP disclosed
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