SCHEMBL7224655

SCHEMBL7224655

CC(=O)OCNC(CCCCN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.46
GSR P00390 1/20 0.42
RNPEP Q9H4A4 1/20 0.41
SLC6A5 Q9Y345 1/20 0.40
CPB2 Q96IY4 7/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
GGT1 P19440 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
TLR2 O60603 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL7224658 1.00 FOLH1 (0.46) FOLH1GSRRNPEPSLC6A5CPB2
SCHEMBL24049245 0.83 FOLH1 (0.49) FOLH1GSRRNPEPSLC6A5CPB2
SCHEMBL7201942 0.83 FOLH1 (0.49) FOLH1GSRRNPEPSLC6A5CPB2
SCHEMBL1455718 0.80 FOLH1 (0.51) FOLH1GSRRNPEPSLC6A5CPB2
SCHEMBL20528922 0.80 FOLH1 (0.51) FOLH1GSRRNPEPSLC6A5CPB2
SCHEMBL10794075 0.78 FOLH1 (0.48) FOLH1
SCHEMBL10794083 0.78 FOLH1 (0.48) FOLH1
SCHEMBL7203821 0.78 FOLH1 (0.42) FOLH1GSRRNPEPSLC6A5CPB2
SCHEMBL2151316 0.78 FOLH1 (0.57) FOLH1GSRRNPEPSLC6A5CPB2
SCHEMBL2151319 0.78 FOLH1 (0.57) FOLH1GSRRNPEPSLC6A5CPB2

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 7 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
US-5981511-A AN ENZYME INHIBITOR FOR REDUCING NITRIC OXIDE, TREATING HYPOTENSION SUCH AS TOXIC SHOCK AND THERAPY WITH CERTAIN CYTOKINES G.D. SEARLE & CO. (US) 1999-11-09 US 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