SCHEMBL6617616

SCHEMBL6617616

O=C(NC[C@H]1CN(c2ccc(C3C=CSC(O)C3O)c(F)c2)C(=O)O1)C(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.47
MAOA P21397 3/20 0.46
MAOB P27338 4/20 0.46
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45

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
SCHEMBL5214903 0.92 MAOA (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL6620888 0.89 MAOA (0.59) F10MAOAMAOBLMNAPTGS1
SCHEMBL6619705 0.88 F10 (0.47) F10
SCHEMBL6621480 0.87 MAOA (0.44) F10MAOAMAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL6619270 0.82 CALML3 (0.44) F10MAOAMAOBCALML3
SCHEMBL6619924 0.81 F10 (0.45) F10MAOAMAOB
SCHEMBL5737890 0.79 F10 (0.48) F10MAOAMAOBLMNAPTGS1
SCHEMBL13428554 0.79 F10 (0.68) F10MAOAMAOBLMNAPTGS1
SCHEMBL6397715 0.78 F10 (0.52) F10MAOAMAOBLMNAPTGS1
SCHEMBL6397708 0.78 F10 (0.52) 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 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