SCHEMBL8712693

SCHEMBL8712693

C/C(=N\O)N(C(=O)OCCN)[C@@H](CCCCN)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 5/20 0.37
GSR P00390 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
FOLH1 Q04609 1/20 0.31
EPOR P19235 2/20 0.31
GABRR1 P24046 2/20 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
SCHEMBL8716233 0.80 RNPEP (0.40) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL8709649 0.78 GSR (0.40) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL7224443 0.78 CPB2 (0.41) CPB2GSRRNPEPFOLH1
SCHEMBL7226730 0.78 CPB2 (0.38) CPB2GSRRNPEPFOLH1EPOR
SCHEMBL9716610 0.78 GSR (0.39) CPB2GSRRNPEPEPOR
SCHEMBL9716606 0.78 GSR (0.39) CPB2GSRRNPEPEPOR
SCHEMBL1170459 0.76 THRB (0.39) CPB2GSRRNPEPEPOR
SCHEMBL8714819 0.76 CPB2 (0.43) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL9716597 0.76 CPB2 (0.46) CPB2GSRRNPEPFOLH1EPOR
SCHEMBL9716594 0.76 CPB2 (0.46) CPB2GSRRNPEPFOLH1EPOR

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