SCHEMBL7226873

SCHEMBL7226873

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.50
SLC6A5 Q9Y345 1/20 0.43
CPB2 Q96IY4 10/20 0.41
GSR P00390 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
CPB1 P15086 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL7226878 1.00 FOLH1 (0.50) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL7224520 0.90 FOLH1 (0.49) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL7224522 0.90 FOLH1 (0.49) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL7226858 0.87 FOLH1 (0.47) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL7226860 0.87 FOLH1 (0.47) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL7232934 0.86 FOLH1 (0.49) FOLH1SLC6A5CPB2CA1CA2
SCHEMBL7232936 0.86 FOLH1 (0.49) FOLH1SLC6A5CPB2CA1CA2
SCHEMBL7172377 0.83 FOLH1 (0.57) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL7172374 0.83 FOLH1 (0.57) FOLH1SLC6A5CPB2GSRCA1
SCHEMBL7225506 0.82 MMP2 (0.44) FOLH1CPB2CA1CA2CPB1

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 4 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
US-6207708-B1 FOR THERAPY AND PROPHYLAXIS OF AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS AFFECTING THE JOINTS SUCH AS ARTHRITIS, AND INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, G. D. SEARLE & COMPANY 2001-03-27 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