SCHEMBL5221394

SCHEMBL5221394

CC(=O)NC[C@H]1CN(c2ccc(C3CCSC(O)C3)cc2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.52
MAOA P21397 4/20 0.52
MAOB P27338 2/20 0.52
LMNA P02545 1/20 0.48
PTGS1 P23219 1/20 0.48
CALML3 P27482 1/20 0.48
SDHA P31040 1/20 0.48
ABCB11 O95342 1/20 0.45
F2 P00734 1/20 0.44

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
SCHEMBL6403027 0.87 MAOA (0.62) F10MAOAMAOBLMNAPTGS1
SCHEMBL6403024 0.87 MAOA (0.62) F10MAOAMAOBLMNAPTGS1
SCHEMBL6160326 0.85 MAOA (0.61) F10MAOAMAOBLMNAPTGS1
SCHEMBL6162524 0.85 MAOA (0.61) F10MAOAMAOBLMNAPTGS1
SCHEMBL7195331 0.85 MAOA (0.61) F10MAOAMAOBLMNAPTGS1
SCHEMBL6161177 0.85 MAOA (0.61) F10MAOAMAOBLMNAPTGS1
SCHEMBL6160328 0.85 MAOA (0.61) F10MAOAMAOBLMNAPTGS1
SCHEMBL7849117 0.85 MAOA (0.55) F10MAOAMAOBLMNAPTGS1
SCHEMBL5737375 0.85 F10 (0.52) F10MAOAMAOBLMNAPTGS1
SCHEMBL6620702 0.84 MAOA (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467992-B1 ANTIMICROBIAL DIHYDROTHIAZINE AND DIHYDROTHIOPYRAN OXAZOLIDINONES PHARMACIA & UPJOHN CO LLC (US) 2007-08-08 EP disclosed
EP-1467992-A1 ANTIMICROBIAL DIHYDROTHIAZINE AND DIHYDROTHIOPYRAN OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2004-10-20 EP disclosed
WO-2003062231-A1 ANTIMICROBIAL DIHYDROTHIAZINE AND DIHYDROTHIOPYRAN OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2003-07-31 WO disclosed