SCHEMBL7699223

SCHEMBL7699223

CC(=N)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 8/20 0.66
SIRT1 Q96EB6 7/20 0.66
FOLH1 Q04609 3/20 0.64
TGM2 P21980 5/20 0.61
ITGB3 P05106 1/20 0.59
ITGAV P06756 1/20 0.59
SIRT3 Q9NTG7 4/20 0.57
CPB1 P15086 1/20 0.56
CPB2 Q96IY4 1/20 0.56
SIRT5 Q9NXA8 1/20 0.56

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
SCHEMBL27429289 0.91 SIRT2 (0.69) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL5841119 0.89 FOLH1 (0.68) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL806151 0.89 FOLH1 (0.78) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL464715 0.89 FOLH1 (0.78) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL4561005 0.89 FOLH1 (0.78) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL30302212 0.89 SIRT2 (0.67) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL30302209 0.89 SIRT2 (0.67) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL3952882 0.88 SIRT2 (0.72) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL3952877 0.88 SIRT2 (0.72) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL8387978 0.86 FOLH1 (0.65) SIRT2SIRT1FOLH1TGM2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344473-B1 NITRIC OXIDE SYNTHASE INHIBITOR G.D. SEARLE & CO. 2002-02-05 US disclosed
US-6136829-A NITRIC OXIDE SYNTHETASE INHIBITORS G.D. SEARLE & CO. (US) 2000-10-24 US 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
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