SCHEMBL6618538

SCHEMBL6618538

CC(=O)NC[C@H]1CN(c2ccc(C3C=CSC(O)C3O)cc2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.52
MAOB P27338 2/20 0.52
F10 P00742 11/20 0.51
LMNA P02545 1/20 0.50
PTGS1 P23219 1/20 0.50
CALML3 P27482 1/20 0.50
SDHA P31040 1/20 0.50
ABCB11 O95342 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
SCHEMBL6616382 0.90 F10 (0.48) F10
SCHEMBL6619705 0.87 F10 (0.47) F10ABCB11
SCHEMBL6619924 0.87 F10 (0.45) MAOAMAOBF10
SCHEMBL6620888 0.87 MAOA (0.59) MAOAMAOBF10LMNAPTGS1
SCHEMBL6619192 0.85 MAOA (0.54) MAOAMAOBF10LMNAPTGS1
SCHEMBL6621745 0.84 F10 (0.43) MAOAMAOBF10
Hydrochloric Acid SCHEMBL6621165 0.82 F10 (0.49) F10CALML3
SCHEMBL14197149 0.81 MAOA (0.59) MAOAMAOBF10LMNAPTGS1
SCHEMBL4883475 0.81 MAOA (0.59) MAOAMAOBF10LMNAPTGS1
SCHEMBL8590209 0.80 MAOA (0.59) MAOAMAOBF10LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467992-A1 ANTIMICROBIAL DIHYDROTHIAZINE AND DIHYDROTHIOPYRAN OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2004-10-20 EP claimed
WO-2003062231-A1 ANTIMICROBIAL DIHYDROTHIAZINE AND DIHYDROTHIOPYRAN OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2003-07-31 WO claimed