SCHEMBL7220221

SCHEMBL7220221

C/C(=N/Oc1ccccc1)N[C@@H](CCCCNOc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 14/20 0.40
SIRT1 Q96EB6 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
TGM2 P21980 1/20 0.38
ALB P02768 2/20 0.38
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL7226620 0.83 FOLH1 (0.42) FOLH1SIRT1SIRT2TGM2ALB
SCHEMBL7218360 0.75 FOLH1 (0.46) FOLH1SIRT1SIRT2TGM2ALB
SCHEMBL7220224 0.75 METAP2 (0.36)
SCHEMBL7908794 0.75 C3AR1 (0.41) FOLH1
SCHEMBL8223251 0.72 POLB (0.44) SIRT1
SCHEMBL8223247 0.72 POLB (0.44) SIRT1
SCHEMBL7909555 0.69 FOLH1 (0.42) FOLH1TGM2ALBCD274
SCHEMBL7225506 0.68 MMP2 (0.44) FOLH1
SCHEMBL7225509 0.68 MMP2 (0.44) FOLH1
Acetic Acid SCHEMBL7350357 0.68 HDAC3 (0.49)

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