SCHEMBL6826545

SCHEMBL6826545

CNC(=S)NC[C@H]1CN(c2ccc(NCC(=O)OC(C)(C)C)c(F)c2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.51
MAOB P27338 5/20 0.51
MAOA P21397 5/20 0.51
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.51
CALML3 P27482 1/20 0.51
SDHA P31040 1/20 0.51

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
SCHEMBL6826300 0.92 MAOB (0.52) F10MAOBMAOALMNAPTGS1
SCHEMBL6826301 0.92 MAOB (0.52) F10MAOBMAOALMNAPTGS1
SCHEMBL6922622 0.90 MAOA (0.63) F10MAOBMAOALMNAPTGS1
SCHEMBL6922619 0.90 MAOA (0.63) F10MAOBMAOALMNAPTGS1
SCHEMBL6828307 0.85 MAOB (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL6792784 0.85 MAOB (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL6826425 0.83 MAOB (0.44) F10MAOBMAOALMNAPTGS1
SCHEMBL6826232 0.83 MAOB (0.44) F10MAOBMAOALMNAPTGS1
SCHEMBL6828306 0.82 F10 (0.43) F10MAOBMAOALMNAPTGS1
SCHEMBL6826123 0.80 MAOB (0.43) 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-2004101552-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-11-25 WO disclosed