SCHEMBL6528459

SCHEMBL6528459

CN1C(=O)CSc2cc(N3CC(CNC(=O)OC(C)(C)C)OC3=O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.49
MAOB P27338 5/20 0.48
MAOA P21397 5/20 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
SCHEMBL6528457 1.00 F10 (0.49) F10MAOBMAOALMNAPTGS1
SCHEMBL6509507 0.91 F10 (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL6509512 0.91 F10 (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL8154923 0.87 MAOA (0.59) F10MAOBMAOALMNAPTGS1
SCHEMBL5120610 0.86 F10 (0.51) F10MAOBMAOALMNAPTGS1
SCHEMBL5120617 0.86 F10 (0.51) F10MAOBMAOALMNAPTGS1
SCHEMBL6530273 0.86 F10 (0.50) F10MAOBMAOALMNAPTGS1
SCHEMBL6530276 0.86 F10 (0.50) F10MAOBMAOALMNAPTGS1
SCHEMBL6530158 0.83 F10 (0.67) F10MAOBMAOALMNAPTGS1
SCHEMBL6529819 0.81 MAOB (0.49) F10MAOBMAOALMNAPTGS1

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