SCHEMBL5833372

SCHEMBL5833372

O=C1O[C@@H](CNc2ccon2)CN1c1ccc(-n2cnc(CO)c2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.57
CYP2E1 P05181 1/20 0.49
MAOB P27338 7/20 0.44
CALML3 P27482 2/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
SDHA P31040 1/20 0.44
F10 P00742 7/20 0.41

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
SCHEMBL5833507 0.88 MAOA (0.66) MAOACYP2E1MAOBCALML3LMNA
SCHEMBL5833513 0.88 MAOA (0.66) MAOACYP2E1MAOBCALML3LMNA
SCHEMBL7077047 0.84 MAOA (0.42) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL7077051 0.84 MAOA (0.42) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL13081072 0.84 CALML3 (0.56) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3754635 0.83 MAOA (0.65) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3755880 0.83 MAOA (0.65) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL5833617 0.83 MAOA (0.61) MAOACYP2E1MAOBCALML3LMNA
SCHEMBL5833613 0.83 MAOA (0.61) MAOACYP2E1MAOBCALML3LMNA
SCHEMBL3323189 0.80 MAOA (0.79) MAOACYP2E1MAOBCALML3LMNA

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
US-7087629-B2 Useful activity against Gram-positive pathogens and, in particular, against various strains exhibiting resistance to vancomycin and against E. faecium strains resistant to both aminoglycosides and clinically used beta-lactams ASTRAZENECA AB (SE) 2006-08-08 US disclosed