SCHEMBL5813448

SCHEMBL5813448

CCCCNC(=O)OC[C@H]1CN(c2ccc(N3CCN(c4ccc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.48
MAOA P21397 4/20 0.48
F10 P00742 12/20 0.47
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46

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
SCHEMBL5807776 0.87 MAOB (0.51) MAOBMAOAF10LMNAPTGS1
SCHEMBL6511671 0.87 MAOB (0.56) MAOBMAOAF10LMNAPTGS1
SCHEMBL6511668 0.87 MAOB (0.56) MAOBMAOAF10LMNAPTGS1
SCHEMBL5814097 0.86 MAOA (0.49) MAOBMAOAF10LMNAPTGS1
SCHEMBL6530418 0.84 MAOB (0.58) MAOBMAOAF10LMNAPTGS1
SCHEMBL6530420 0.84 MAOB (0.58) MAOBMAOAF10LMNAPTGS1
SCHEMBL5809156 0.83 MAOA (0.47) MAOBMAOAF10LMNAPTGS1
SCHEMBL5726750 0.83 MAOA (0.70) MAOBMAOAF10LMNAPTGS1
SCHEMBL5726745 0.83 MAOA (0.70) MAOBMAOAF10LMNAPTGS1
SCHEMBL5813447 0.83 MAOB (0.51) 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-2006043121-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-27 WO disclosed