SCHEMBL7224812

SCHEMBL7224812

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 13/20 0.43
SMN1; SMN2 Q16637 1/20 0.37
TGM2 P21980 3/20 0.35
ALB P02768 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34

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
SCHEMBL7901774 1.00 FOLH1 (0.43) FOLH1SMN1; SMN2TGM2ALBSIRT2
SCHEMBL7911993 0.91 FOLH1 (0.45) FOLH1SMN1; SMN2TGM2ALB
SCHEMBL7912005 0.91 FOLH1 (0.45) FOLH1SMN1; SMN2TGM2ALB
SCHEMBL7909235 0.88 FOLH1 (0.43) FOLH1SMN1; SMN2
SCHEMBL7911902 0.88 FOLH1 (0.40) FOLH1SMN1; SMN2TGM2ALBSIRT2
SCHEMBL7911894 0.88 FOLH1 (0.40) FOLH1SMN1; SMN2TGM2ALBSIRT2
SCHEMBL7909229 0.88 FOLH1 (0.43) FOLH1SMN1; SMN2
SCHEMBL8711067 0.88 FOLH1 (0.42) FOLH1SMN1; SMN2TGM2ALB
SCHEMBL7908742 0.83 FOLH1 (0.41) FOLH1TGM2SIRT2SIRT1
SCHEMBL7908736 0.83 FOLH1 (0.41) FOLH1TGM2SIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP claimed
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP claimed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO claimed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO claimed
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