SCHEMBL7225462

SCHEMBL7225462

CSC(=O)OCN(/C(C)=N/O)[C@@H](CCCCN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.38
GSR P00390 1/20 0.33
FOLH1 Q04609 1/20 0.33
RNPEP Q9H4A4 1/20 0.33
EPOR P19235 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
SCHEMBL8821909 0.88 CPB2 (0.38) CPB2GSRFOLH1RNPEPEPOR
SCHEMBL7218411 0.86 CPB2 (0.36) CPB2GSRFOLH1RNPEPEPOR
SCHEMBL7219609 0.84 CPB2 (0.35) CPB2GSRFOLH1RNPEPEPOR
SCHEMBL7219138 0.80 EPOR (0.38) EPOR
SCHEMBL8714819 0.77 CPB2 (0.43) CPB2GSRFOLH1RNPEP
SCHEMBL7224443 0.76 CPB2 (0.41) CPB2GSRFOLH1RNPEP
SCHEMBL8712693 0.72 CPB2 (0.37) CPB2GSRFOLH1RNPEPEPOR
SCHEMBL7915353 0.70 NOS2 (0.41) GSR
SCHEMBL8716233 0.69 RNPEP (0.40) CPB2GSRFOLH1RNPEP
SCHEMBL787391 0.69 GSR (0.46) CPB2GSRFOLH1RNPEPEPOR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576780-B1 Hydroxyamidino derivatives useful as nitric oxide synthase inhibitors GD SEARLE & COMPANY 2003-06-10 US disclosed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP disclosed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed