SCHEMBL8117477

SCHEMBL8117477

O=C(NCC1CN(c2ccc([C@H]3CCSC(O)C3)c(F)c2)C(=O)O1)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.59
MAOA P21397 4/20 0.49
F10 P00742 14/20 0.49
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46

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
SCHEMBL8108944 0.91 MAOA (0.51) MAOBMAOAF10LMNAPTGS1
SCHEMBL7195331 0.90 MAOA (0.61) MAOBMAOAF10LMNAPTGS1
SCHEMBL6160326 0.90 MAOA (0.61) MAOBMAOAF10LMNAPTGS1
SCHEMBL6160328 0.90 MAOA (0.61) MAOBMAOAF10LMNAPTGS1
SCHEMBL6161177 0.90 MAOA (0.61) MAOBMAOAF10LMNAPTGS1
SCHEMBL6162524 0.90 MAOA (0.61) MAOBMAOAF10LMNAPTGS1
SCHEMBL8110236 0.88 MAOA (0.48) MAOBMAOAF10LMNAPTGS1
SCHEMBL6163251 0.88 MAOA (0.48) MAOBMAOAF10LMNAPTGS1
SCHEMBL6160348 0.88 MAOA (0.54) MAOBMAOAF10LMNAPTGS1
SCHEMBL7846895 0.88 MAOA (0.54) MAOBMAOAF10LMNAPTGS1

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
EP-1036074-A1 S-OXIDE AND S,S-DIOXIDE TETRAHYDROTHIOPYRAN PHENYLOXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2000-09-20 EP claimed
WO-1999029688-A1 S-OXIDE AND S,S-DIOXIDE TETRAHYDROTHIOPYRAN PHENYLOXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 1999-06-17 WO claimed
EP-1036074-A1 S-OXIDE AND S,S-DIOXIDE TETRAHYDROTHIOPYRAN PHENYLOXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2000-09-20 EP disclosed
WO-1999029688-A1 S-OXIDE AND S,S-DIOXIDE TETRAHYDROTHIOPYRAN PHENYLOXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 1999-06-17 WO disclosed