SCHEMBL14345346

SCHEMBL14345346

CC(=O)NC[C@H]1CC(c2ccc(N3CCOCC3)c(F)c2)=NO1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.59
MAOA P21397 2/20 0.59
LMNA P02545 1/20 0.59
PTGS1 P23219 1/20 0.59
CALML3 P27482 1/20 0.59
SDHA P31040 1/20 0.59
MIF P14174 9/20 0.51
RAB9A P51151 1/20 0.51
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
NPC1 O15118 1/20 0.44

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
SCHEMBL7468825 1.00 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7463009 0.92 MIF (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7471612 0.89 MAOA (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7469527 0.89 MIF (0.50) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7471239 0.89 MIF (0.50) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7469138 0.88 MAOA (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7473717 0.87 MIF (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7467858 0.87 MIF (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL27880820 0.86 MIF (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL27684361 0.86 MIF (0.47) MAOBMAOALMNAPTGS1CALML3

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-2007138381-A2 PHOSPHONATED OXAZOLIDINONES AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-12-06 WO disclosed