SCHEMBL2367515

SCHEMBL2367515

CCN(C=O)c1cnn(-c2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)C4O)c3n2)c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.70
ADORA3 P0DMS8 3/20 0.68
ADORA2B P29275 2/20 0.68
ADORA1 P30542 2/20 0.68
ADRA1A P35348 1/20 0.68
LMNA P02545 1/20 0.55
NT5E P21589 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL15158230 1.00 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL271324 1.00 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL15158228 0.92 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL4539668 0.92 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL271016 0.92 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1ADRA1A
Water SCHEMBL489161 0.91 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL1985230 0.90 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL272093 0.89 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL2883494 0.86 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL18556282 0.84 ADORA2A (0.80) ADORA2AADORA3ADORA2BADORA1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366396-A1 Myocardial perfusion imaging using adenosine receptor agonists Gilead Palo Alto, Inc. (US) 2011-09-21 EP disclosed