SCHEMBL5220588

SCHEMBL5220588

NC(=O)CC[C@H]1CN(c2ccc(N3C=CS(O)(O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.47
MAOB P27338 10/20 0.46
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46
F10 P00742 8/20 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
SCHEMBL5218199 0.84 MAOB (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5214484 0.83 MAOA (0.68) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5889324 0.82 MAOB (0.53) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5217711 0.81 MAOB (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3698286 0.81 MAOB (0.68) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL30549098 0.81 MAOB (0.68) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5105138 0.81 MAOB (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5105135 0.81 MAOB (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3117922 0.81 MAOB (0.68) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5215422 0.81 MAOB (0.54) MAOAMAOBLMNAPTGS1CALML3

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 1 patent. 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 claimed