SCHEMBL5812807

SCHEMBL5812807

O=C1O[C@@H](CNc2ccon2)CN1c1ccc(N2CCN(c3ccc([N+](=O)[O-])s3)CC2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.56
CYP2E1 P05181 1/20 0.48
MAOB P27338 9/20 0.47
F10 P00742 9/20 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

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
SCHEMBL5807765 0.90 MAOA (0.54) MAOACYP2E1MAOBF10LMNA
SCHEMBL5823476 0.85 MAOA (0.55) MAOACYP2E1MAOBF10LMNA
SCHEMBL5808386 0.85 MAOA (0.55) MAOACYP2E1MAOBF10LMNA
SCHEMBL5812196 0.85 MAOB (0.41) MAOAMAOBF10LMNAPTGS1
SCHEMBL6508885 0.84 MAOB (0.48) MAOAMAOBF10LMNAPTGS1
SCHEMBL5799591 0.84 MAOB (0.48) MAOAMAOBF10LMNAPTGS1
SCHEMBL6509777 0.84 MAOB (0.51) MAOAMAOBF10LMNAPTGS1
SCHEMBL6511507 0.84 MAOB (0.51) MAOAMAOBF10LMNAPTGS1
SCHEMBL6110851 0.84 MAOA (0.62) MAOACYP2E1MAOBF10LMNA
SCHEMBL5808176 0.83 MAOB (0.51) MAOAMAOBF10LMNAPTGS1

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