SCHEMBL7224448

SCHEMBL7224448

CSC(=O)N[C@@H](CCCCN)C(=O)OC(C)=NO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.37
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
CPB2 Q96IY4 5/20 0.33
SLC6A5 Q9Y345 1/20 0.33
ERAP2 Q6P179 3/20 0.32
ERAP1 Q9NZ08 2/20 0.32
CNR2 P34972 1/20 0.32
TLR2 O60603 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KLKB1 P03952 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31

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
SCHEMBL7226737 0.83 FOLH1 (0.43) FOLH1SIRT6SIRT1CPB2SLC6A5
SCHEMBL7225467 0.82 FOLH1 (0.35) FOLH1SIRT6SIRT1CPB2
SCHEMBL7218414 0.76 SIRT6 (0.35) FOLH1SIRT6SIRT1CPB2SLC6A5
SCHEMBL7219614 0.74 FOLH1 (0.33) FOLH1SIRT6SIRT1CPB2
SCHEMBL7219144 0.69 ANPEP (0.37) CPB2TLR2KLKB1
SCHEMBL4902767 0.69 SIRT1 (0.40) FOLH1SIRT6SIRT1CPB2SLC6A5
SCHEMBL31243301 0.69 TGFBR1 (0.44) FOLH1SIRT6SIRT1CPB2SLC6A5
SCHEMBL28085656 0.69 FOLH1 (0.47) FOLH1SIRT6SIRT1CPB2SLC6A5
SCHEMBL2387748 0.67 SIRT6 (0.54) FOLH1SIRT6SIRT1ERAP2ERAP1
SCHEMBL5494276 0.67 SIRT6 (0.54) FOLH1SIRT6SIRT1ERAP2ERAP1

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