SCHEMBL7909709

SCHEMBL7909709

CC(=NO)NCCCC[C@H](NC(=O)CCCN)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.51
FOLH1 Q04609 2/20 0.48
NOD1 Q9Y239 7/20 0.47
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
PGGT1B P53609 1/20 0.45
EPHX2 P34913 1/20 0.44
ALB P02768 2/20 0.44
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
NMT2 O60551 1/20 0.43
NMT1 P30419 1/20 0.43
GNPAT O15228 1/20 0.43

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
SCHEMBL7225493 1.00 SLC6A5 (0.51) SLC6A5FOLH1NOD1FNTAFNTB
SCHEMBL8201903 0.87 KMT2A (0.49) SLC6A5NOD1EPHX2SIRT6SIRT1
SCHEMBL7911445 0.83 FOLH1 (0.52) FOLH1SIRT6SIRT1
SCHEMBL7227342 0.83 FOLH1 (0.52) FOLH1SIRT6SIRT1
SCHEMBL7901699 0.82 FOLH1 (0.49) FOLH1NOD1EPHX2ALB
SCHEMBL232587 0.81 SLC6A5 (0.65) SLC6A5FOLH1NOD1NMT2NMT1
SCHEMBL232527 0.81 SLC6A5 (0.65) SLC6A5FOLH1NOD1NMT2NMT1
SCHEMBL7225427 0.80 FOLH1 (0.43) FOLH1SIRT6SIRT1
SCHEMBL7912042 0.80 FOLH1 (0.43) FOLH1SIRT6SIRT1
SCHEMBL7227075 0.78 NOD1 (0.50) FOLH1NOD1FNTAFNTBPGGT1B

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-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 claimed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP claimed
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP claimed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO claimed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO claimed