SCHEMBL7220348

SCHEMBL7220348

CC(=N)N[C@@H](CCCCNSc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 16/20 0.42
SIRT5 Q9NXA8 1/20 0.39
GNPAT O15228 1/20 0.39
ALB P02768 2/20 0.38

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 0.80 FOLH1 (0.42) FOLH1GNPATALB
SCHEMBL7911817 0.79 FOLH1 (0.41) FOLH1GNPAT
SCHEMBL7219248 0.78 FOLH1 (0.49) FOLH1GNPATALB
SCHEMBL7908670 0.74 DPP8 (0.35) SIRT5
SCHEMBL7224574 0.72 FOLH1 (0.47) FOLH1GNPATALB
SCHEMBL7225560 0.70 FOLH1 (0.42) FOLH1GNPATALB
SCHEMBL7220177 0.70 FOLH1 (0.45) FOLH1
SCHEMBL214641 0.70 FOLH1 (0.58) FOLH1GNPAT
SCHEMBL45765 0.70 FOLH1 (0.58) FOLH1GNPAT
SCHEMBL1983969 0.68 FOLH1 (0.47) FOLH1ALB

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