SCHEMBL5834572

SCHEMBL5834572

CC1(C)OC[C@@H](C(=O)N2CC=C(c3ccc(N4C[C@H](CNc5ccon5)OC4=O)cc3)CC2)O1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.45
CYP2E1 P05181 1/20 0.40
SIGMAR1 Q99720 1/20 0.35
F10 P00742 13/20 0.35
NAMPT P43490 1/20 0.34
MAOB P27338 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33

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
SCHEMBL7077070 0.85 SIGMAR1 (0.37) MAOASIGMAR1F10NAMPT
SCHEMBL7078871 0.85 SIGMAR1 (0.37) MAOASIGMAR1F10NAMPT
SCHEMBL5834431 0.83 MAOA (0.47) MAOACYP2E1SIGMAR1F10ITGB3
SCHEMBL6765247 0.82 MAOA (0.45) MAOACYP2E1SIGMAR1F10NAMPT
SCHEMBL5834526 0.80 MAOA (0.45) MAOACYP2E1SIGMAR1F10ITGB3
SCHEMBL7080989 0.76 MAOA (0.41) MAOAMAOB
SCHEMBL7084688 0.76 MAOA (0.41) MAOAMAOB
SCHEMBL7077996 0.76 MAOA (0.34) MAOAF10MAOB
SCHEMBL7076987 0.76 MAOA (0.34) MAOAF10MAOB
SCHEMBL7077019 0.74 CALML3 (0.49) MAOAMAOB

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 2 patents. 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
US-6734200-B1 ANTIBIOTIC COMPOUNDS CONTAINING A SUBSTITUTED OXAZOLIDINONE RING; ACTIVITY AGAINST GRAM-POSITIVE PATHOGENS ASTRAZENECA AB (SE) 2004-05-11 US disclosed