SCHEMBL6873003

SCHEMBL6873003

Nc1cc(C(=O)N2CCCC2)cc2nc(-c3ccc(Cl)o3)nn12

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.78

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
SCHEMBL6869305 0.99 ADORA2A (0.79) ADORA2A
SCHEMBL6870333 0.98 ADORA2A (0.75) ADORA2A
SCHEMBL6869493 0.92 ADORA2A (0.66) ADORA2A
SCHEMBL6870730 0.91 ADORA2A (0.78) ADORA2A
SCHEMBL6871918 0.88 ADORA2A (0.62) ADORA2A
SCHEMBL6871214 0.88 ADORA2A (1.00) ADORA2A
SCHEMBL6867961 0.87 ADORA2A (1.00) ADORA2A
SCHEMBL6869837 0.87 ADORA2A (1.00) ADORA2A
SCHEMBL6870308 0.87 ADORA2A (0.60) ADORA2A
SCHEMBL6863638 0.86 ADORA2A (1.00) ADORA2A

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-6506772-B1 Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. HOFFMANN-LA ROCHE INC. 2003-01-14 US claimed
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
US-6506772-B1 Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. HOFFMANN-LA ROCHE INC. 2003-01-14 US disclosed