SCHEMBL4789543

SCHEMBL4789543

O=C(NCC1CN(c2ccc(-n3cnc(Cn4cncn4)c3)c(F)c2)C(=O)O1)C(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
MAOA P21397 3/20 0.46
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46
F10 P00742 15/20 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
SCHEMBL3752415 1.00 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3750873 0.93 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3750869 0.93 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3758214 0.91 MAOB (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13054658 0.90 MAOA (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3764815 0.90 MAOA (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13054720 0.89 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3750858 0.89 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13054687 0.89 MAOA (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13054715 0.89 MAOB (0.49) 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-2008143649-A2 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2008-11-27 WO disclosed