SCHEMBL6872157

SCHEMBL6872157

Nc1cc(C(=O)N2CCC3CCCCC3C2)cc2nc(-c3nccs3)nn12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.50
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
PLAT P00750 1/20 0.37
CNR2 P34972 2/20 0.37
SPR P35270 2/20 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
SCHEMBL6863814 0.85 ADORA2A (0.67) ADORA2A
SCHEMBL6867345 0.85 ADORA2A (0.63) ADORA2A
SCHEMBL6870280 0.85 ADORA2A (0.53) ADORA2A
SCHEMBL6870030 0.84 ADORA2A (0.66) ADORA2A
SCHEMBL6863267 0.84 ADORA2A (0.66) ADORA2A
SCHEMBL6863682 0.84 ADORA2A (0.66) ADORA2A
SCHEMBL6872004 0.84 ADORA2A (0.47) ADORA2ACNR2
SCHEMBL6869731 0.82 ADORA2A (0.45) ADORA2A
SCHEMBL6870405 0.81 ADORA2A (0.60) ADORA2A
SCHEMBL6870494 0.81 ADORA2A (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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