SCHEMBL6630969

SCHEMBL6630969

O=C1O[C@@H](CNC(=S)N2CCC2)CN1c1ccc(N2CCCSCC2)c(F)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.71
MAOA P21397 3/20 0.71
F10 P00742 13/20 0.65
LMNA P02545 1/20 0.57
PTGS1 P23219 1/20 0.57
CALML3 P27482 1/20 0.57
SDHA P31040 1/20 0.57

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
SCHEMBL7157596 1.00 MAOB (0.71) MAOBMAOAF10LMNAPTGS1
SCHEMBL6040534 0.97 MAOB (0.75) MAOBMAOAF10LMNAPTGS1
SCHEMBL6040527 0.97 MAOB (0.75) MAOBMAOAF10LMNAPTGS1
SCHEMBL6040229 0.91 MAOB (0.80) MAOBMAOAF10LMNAPTGS1
SCHEMBL6040231 0.91 MAOB (0.80) MAOBMAOAF10LMNAPTGS1
SCHEMBL7157536 0.90 MAOB (0.73) MAOBMAOAF10LMNAPTGS1
SCHEMBL7161238 0.90 MAOB (0.73) MAOBMAOAF10LMNAPTGS1
SCHEMBL7154461 0.90 MAOB (0.74) MAOBMAOAF10LMNAPTGS1
SCHEMBL7154465 0.90 MAOB (0.74) MAOBMAOAF10LMNAPTGS1
SCHEMBL7158485 0.89 MAOB (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6537986-B2 With thiourea, thioamide, or dithiocarbamate functionality; (S)-N-(((3-(3-fluoro-4-morpholinyl)phenyl)-2-oxo-5 -oxazolidinyl)methyl)thioacetamide for example; treats multiple-resistant staphylococci PHARMACIA & UPJOHN COMPANY 2003-03-25 US claimed
EP-1451164-A2 AMIDE DERIVATIVES HAVING IMPROVED SOLUBILITY PHARMACIA & UPJOHN COMPANY (US) 2004-09-01 EP disclosed
WO-2003006440-A2 AMIDE-CONTAINING COMPOUND HAVING IMPROVED SOLUBILITY AND METHOD OF IMPROVING THE SOLUBILITY OF AN AMIDE-CONTAINING COMPOUND PHARMACIA & UPJOHN COMPANY (US) 2003-01-23 WO disclosed