SCHEMBL7911445

SCHEMBL7911445

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 18/20 0.52
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CPB2 Q96IY4 1/20 0.40

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
SCHEMBL7227342 1.00 FOLH1 (0.52) FOLH1SIRT6SIRT1CPB2
SCHEMBL8224459 0.86 SIRT6 (0.40) FOLH1SIRT6SIRT1CPB2
SCHEMBL7915383 0.85 FOLH1 (0.56) FOLH1
SCHEMBL7915392 0.85 FOLH1 (0.56) FOLH1
SCHEMBL7909709 0.83 SLC6A5 (0.51) FOLH1SIRT6SIRT1
SCHEMBL7225493 0.83 SLC6A5 (0.51) FOLH1SIRT6SIRT1
SCHEMBL7225427 0.81 FOLH1 (0.43) FOLH1SIRT6SIRT1CPB2
SCHEMBL7912042 0.81 FOLH1 (0.43) FOLH1SIRT6SIRT1CPB2
SCHEMBL7901699 0.80 FOLH1 (0.49) FOLH1
SCHEMBL7227075 0.80 NOD1 (0.50) FOLH1SIRT6SIRT1

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