SCHEMBL7224725

SCHEMBL7224725

COC(=O)C(CCCCN)NO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.44
FOLH1 Q04609 2/20 0.41
CPB2 Q96IY4 2/20 0.41
GSR P00390 1/20 0.39
ERAP2 Q6P179 4/20 0.39
LNPEP Q9UIQ6 4/20 0.39
SIRT6 Q8N6T7 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
CNR2 P34972 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL7224727 1.00 ANPEP (0.44) ANPEPFOLH1CPB2GSRERAP2
SCHEMBL22291193 0.94 ANPEP (0.39) ANPEPFOLH1CPB2ERAP2LNPEP
SCHEMBL22291195 0.94 ANPEP (0.39) ANPEPFOLH1CPB2ERAP2LNPEP
SCHEMBL30714293 0.94 ANPEP (0.39) ANPEPFOLH1CPB2ERAP2LNPEP
SCHEMBL5271108 0.85 CPB2 (0.54) FOLH1CPB2GSRSIRT6SIRT1
SCHEMBL5271116 0.85 CPB2 (0.54) FOLH1CPB2GSRSIRT6SIRT1
SCHEMBL6151760 0.85 FOLH1 (0.41) ANPEPFOLH1CPB2GSRSIRT6
SCHEMBL7576584 0.85 ANPEP (0.44) ANPEPFOLH1CPB2GSRERAP2
SCHEMBL4912676 0.85 ANPEP (0.44) ANPEPFOLH1CPB2GSRERAP2
SCHEMBL5503280 0.85 ANPEP (0.44) ANPEPFOLH1CPB2GSRERAP2

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 13 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-6344473-B1 NITRIC OXIDE SYNTHASE INHIBITOR G.D. SEARLE & CO. 2002-02-05 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
US-6136829-A NITRIC OXIDE SYNTHETASE INHIBITORS G.D. SEARLE & CO. (US) 2000-10-24 US disclosed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP disclosed
EP-1000041-A1 1,3-DIAZA- HETEROCYCLES AND THEIR USE AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 2000-05-17 EP disclosed
US-5981556-A USEFUL IN TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, AND ALSO INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, MIGRAINE G.D. SEARLE & CO. (US) 1999-11-09 US disclosed
US-5981511-A AN ENZYME INHIBITOR FOR REDUCING NITRIC OXIDE, TREATING HYPOTENSION SUCH AS TOXIC SHOCK AND THERAPY WITH CERTAIN CYTOKINES G.D. SEARLE & CO. (US) 1999-11-09 US disclosed
US-5958958-A ANTIINFLAMMATORY AGENT; HYPOTENSIVE AGENT G.D. SEARLE & CO. (US) 1999-09-28 US disclosed
WO-1999005131-A1 1,3-DIAZA- HETEROCYCLES AND THEIR USE AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1999-02-04 WO disclosed
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP disclosed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO disclosed