SCHEMBL5834074

SCHEMBL5834074

O=C1O[C@@H](CNc2ncon2)CN1c1cc(F)c(C2C=CCCN2C(=O)[C@@H](O)CO)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.35
MAOA P21397 7/20 0.35
MAOB P27338 5/20 0.34
PTGS1 P23219 2/20 0.34
SDHA P31040 2/20 0.34
CALML3 P27482 2/20 0.34
LMNA P02545 1/20 0.34
F10 P00742 6/20 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
SCHEMBL5834076 0.82 MAOA (0.30) MAOA
SCHEMBL6765854 0.78 CYP2E1 (0.35) CYP2E1MAOAMAOBPTGS1SDHA
SCHEMBL5833559 0.70 F10 (0.42) CYP2E1MAOAMAOBPTGS1SDHA
SCHEMBL5845072 0.68 MAOA (0.36) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6426468 0.65 MAOB (0.45) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6426472 0.65 MAOB (0.45) MAOAMAOBPTGS1SDHACALML3
SCHEMBL5834248 0.65 MAOA (0.49) CYP2E1MAOAMAOBPTGS1SDHA
SCHEMBL10152915 0.64 MAOB (0.44) MAOAMAOBPTGS1SDHACALML3
SCHEMBL5833725 0.63 MAOA (0.43) MAOAMAOBPTGS1SDHACALML3
SCHEMBL5834079 0.63 CALML3 (0.37) MAOAMAOBPTGS1SDHACALML3

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