SCHEMBL7219248

SCHEMBL7219248

CC(=N)N[C@@H](CCCCNOCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44
GNPAT O15228 1/20 0.42
TGM2 P21980 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ALB P02768 2/20 0.42

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
SCHEMBL7218360 0.84 FOLH1 (0.46) FOLH1SIRT2SIRT1CPB1CPB2
SCHEMBL7226620 0.82 FOLH1 (0.42) FOLH1SIRT2SIRT1GNPATTGM2
SCHEMBL16473048 0.82 PPARA (0.57)
SCHEMBL7911817 0.81 FOLH1 (0.41) FOLH1SIRT2SIRT1GNPAT
SCHEMBL7699223 0.79 SIRT2 (0.66) FOLH1SIRT2SIRT1CPB1CPB2
SCHEMBL7220348 0.78 FOLH1 (0.42) FOLH1GNPATALB
SCHEMBL7428900 0.77 SLC1A1 (0.48)
SCHEMBL7219251 0.76 DPP8 (0.43)
SCHEMBL7224574 0.76 FOLH1 (0.47) FOLH1GNPATTGM2ALB
SCHEMBL7220177 0.74 FOLH1 (0.45) FOLH1

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