SCHEMBL7226872

SCHEMBL7226872

N=C(CO)N(O)CCCC[C@H](N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.49
NOS1 P29475 6/20 0.49
NOS3 P29474 5/20 0.49
GSR P00390 2/20 0.47
ARG2 P78540 4/20 0.43
ARG1 P05089 3/20 0.43
CYP1A2 P05177 3/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 2/20 0.39
GLA P06280 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
BLM P54132 1/20 0.38
DDAH1 O94760 1/20 0.37
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIK1 P39086 1/20 0.37

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
SCHEMBL7220293 0.81 NOS2 (0.54) NOS2NOS1NOS3GSRARG2
SCHEMBL1331746 0.77 GSR (0.52) NOS2NOS1NOS3GSRARG2
SCHEMBL27124114 0.77 NOS2 (0.67) NOS2NOS1NOS3GSRARG2
SCHEMBL1331744 0.77 GSR (0.52) NOS2NOS1NOS3GSRARG2
SCHEMBL11190508 0.77 NOS2 (0.67) NOS2NOS1NOS3GSRARG2
SCHEMBL11579726 0.73 GSR (0.55) NOS2NOS1NOS3GSRARG2
SCHEMBL21689907 0.73 GSR (0.80) NOS2NOS1NOS3GSRARG2
SCHEMBL293201 0.73 GSR (0.80) NOS2NOS1NOS3GSRARG2
SCHEMBL29268443 0.73 GSR (0.80) NOS2NOS1NOS3GSRARG2
SCHEMBL3239635 0.73 GSR (0.80) NOS2NOS1NOS3GSRARG2

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-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
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