SCHEMBL6512001

SCHEMBL6512001

CN1C(=S)CCc2cc(N3CC(CNC(=O)OC(C)(C)C)OC3=O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
MAOA P21397 4/20 0.49
F10 P00742 14/20 0.48
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 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
SCHEMBL6529819 1.00 MAOB (0.49) MAOBMAOAF10LMNAPTGS1
SCHEMBL6530273 0.92 F10 (0.50) MAOBMAOAF10LMNAPTGS1
SCHEMBL6530276 0.92 F10 (0.50) MAOBMAOAF10LMNAPTGS1
SCHEMBL5120610 0.87 F10 (0.51) MAOBMAOAF10LMNAPTGS1
SCHEMBL5120617 0.87 F10 (0.51) MAOBMAOAF10LMNAPTGS1
SCHEMBL6508335 0.87 F10 (0.46) MAOBMAOAF10LMNAPTGS1
SCHEMBL6508332 0.87 F10 (0.46) MAOBMAOAF10LMNAPTGS1
SCHEMBL6509507 0.87 F10 (0.47) MAOBMAOAF10LMNAPTGS1
SCHEMBL6509512 0.87 F10 (0.47) MAOBMAOAF10LMNAPTGS1
SCHEMBL6528615 0.87 MAOA (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005082897-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed