SCHEMBL7219614

SCHEMBL7219614

CNC(=O)OCN[C@@H](CCCCN)C(=O)OC(C)=NO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.33
SIRT6 Q8N6T7 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CPB2 Q96IY4 1/20 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
SCHEMBL7218414 0.87 SIRT6 (0.35) FOLH1SIRT6SIRT1CPB2
SCHEMBL7225467 0.85 FOLH1 (0.35) FOLH1SIRT6SIRT1CPB2
SCHEMBL7226737 0.81 FOLH1 (0.43) FOLH1SIRT6SIRT1CPB2
SCHEMBL7219144 0.79 ANPEP (0.37) CPB2
SCHEMBL7224448 0.74 FOLH1 (0.37) FOLH1SIRT6SIRT1CPB2
SCHEMBL7218187 0.72
SCHEMBL7911902 0.70 FOLH1 (0.40) FOLH1SIRT1CPB2
SCHEMBL7911894 0.70 FOLH1 (0.40) FOLH1SIRT1CPB2
SCHEMBL7224658 0.68 FOLH1 (0.46) FOLH1SIRT6SIRT1CPB2
SCHEMBL7224655 0.68 FOLH1 (0.46) FOLH1SIRT6SIRT1CPB2

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
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