SCHEMBL5834076

SCHEMBL5834076

NC(c1ncon1)[C@@H]1CN(c2cc(F)c(C3C=CCCN3C(=O)[C@@H](O)CO)c(F)c2)C(=O)O1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.30

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
SCHEMBL5834074 0.82 CYP2E1 (0.35) MAOA
SCHEMBL6765855 0.77 TRPV1 (0.30) MAOA
SCHEMBL6765854 0.60 CYP2E1 (0.35) MAOA
SCHEMBL7134192 0.57 MAOB (0.48) MAOA
SCHEMBL7084774 0.57 MAOB (0.48) MAOA
SCHEMBL5767289 0.56 MAOA (0.48) MAOA
SCHEMBL3042429 0.56 MAOA (0.48) MAOA
SCHEMBL14274374 0.54 CALML3 (0.67) MAOA
SCHEMBL6233210 0.53 MAOA (0.45) MAOA
SCHEMBL27573655 0.53 MAOA (0.45) MAOA

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