SCHEMBL7225560

SCHEMBL7225560

CNC(=O)ONCCCC[C@H](NC(C)=N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 12/20 0.42
SMN1; SMN2 Q16637 1/20 0.36
TGM2 P21980 3/20 0.34
ALB P02768 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
GNPAT O15228 1/20 0.33

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
SCHEMBL7224574 0.85 FOLH1 (0.47) FOLH1SMN1; SMN2TGM2ALBGNPAT
SCHEMBL7220177 0.83 FOLH1 (0.45) FOLH1SMN1; SMN2
SCHEMBL7218263 0.83 FOLH1 (0.38) FOLH1SMN1; SMN2TGM2ALBSIRT2
SCHEMBL7911817 0.78 FOLH1 (0.41) FOLH1SIRT2SIRT1GNPAT
SCHEMBL7226620 0.76 FOLH1 (0.42) FOLH1TGM2ALBSIRT2SIRT1
Acetic Acid SCHEMBL268740 0.75 FOLH1 (0.57) FOLH1SIRT1GNPAT
SCHEMBL7219248 0.74 FOLH1 (0.49) FOLH1TGM2ALBSIRT2SIRT1
SCHEMBL45765 0.73 FOLH1 (0.58) FOLH1SIRT1GNPAT
SCHEMBL214641 0.73 FOLH1 (0.58) FOLH1SIRT1GNPAT
Hydrochloric Acid SCHEMBL15914484 0.72 FOLH1 (0.57) FOLH1SIRT1GNPAT

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 6 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
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