SCHEMBL8716301

SCHEMBL8716301

CNC(=O)O/N=C(/C)N(OC(=O)NC)[C@@H](CCCCN)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.35
GSR P00390 1/20 0.33
RNPEP Q9H4A4 1/20 0.32

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
SCHEMBL7219609 0.76 CPB2 (0.35) CPB2GSRRNPEP
SCHEMBL8710584 0.74 CDK5 (0.40)
SCHEMBL7226858 0.72 FOLH1 (0.47) CPB2GSRRNPEP
SCHEMBL7226860 0.72 FOLH1 (0.47) CPB2GSRRNPEP
SCHEMBL7909780 0.71 NOS2 (0.42) GSR
SCHEMBL7909776 0.71 NOS2 (0.42) GSR
SCHEMBL7226730 0.68 CPB2 (0.38) CPB2GSRRNPEP
SCHEMBL30923406 0.66 GSR (0.47) CPB2GSRRNPEP
SCHEMBL6276609 0.65 CPB2 (0.41) CPB2GSRRNPEP
SCHEMBL7218411 0.65 CPB2 (0.36) CPB2GSRRNPEP

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
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP disclosed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO disclosed