SCHEMBL5690283

SCHEMBL5690283

CCC(=O)NN1CN([C@@H]2O[C@H](CO)C(O)C2O)c2nc(N(CC)c3ccc(CCC=O)cc3)nc(N)c21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.35
ADORA1 P30542 5/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2B P29275 3/20 0.34

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
SCHEMBL2195769 0.91 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL940191 0.85 ADORA2A (0.46) ADORA2AADORA3ADORA2B
SCHEMBL258936 0.76 LMNA (0.36) ADORA2AADORA1ADORA3
SCHEMBL2295173 0.76 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL726188 0.76 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1081739 0.76 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5689069 0.76 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL17555535 0.75 ADORA2A (0.39) ADORA2AADORA1ADORA3ADORA2B
Hydrochloric Acid SCHEMBL6754870 0.75 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2B
Hydrochloric Acid SCHEMBL2031973 0.75 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205671-A1 Compositions and methods for use of a protease inhibitor and adenosine for preventing organ ischemia and reperfusion injury EMORY UNIVERSITY 2006-09-14 US claimed
EP-1638579-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2006-03-29 EP claimed
WO-2005003150-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2005-01-13 WO claimed
US-20060205671-A1 Compositions and methods for use of a protease inhibitor and adenosine for preventing organ ischemia and reperfusion injury EMORY UNIVERSITY 2006-09-14 US disclosed
EP-1638579-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2006-03-29 EP disclosed
WO-2005003150-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2005-01-13 WO disclosed