SCHEMBL7149474

SCHEMBL7149474

Nc1cc(C(=O)N2CCCC2C(=O)O)cc2nc(-c3ccc(Br)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
SCHEMBL6863720 0.93 ADORA2A (0.78) ADORA2A
SCHEMBL6870644 0.89 ADORA2A (0.76) ADORA2A
SCHEMBL6863649 0.88 ADORA2A (1.00) ADORA2A
SCHEMBL6872839 0.87 ADORA2A (0.78) ADORA2A
SCHEMBL6868218 0.85 ADORA2A (1.00) ADORA2A
SCHEMBL6863239 0.85 ADORA2A (0.75) ADORA2A
SCHEMBL6871917 0.83 ADORA2A (1.00) ADORA2A
SCHEMBL6868032 0.83 ADORA2A (1.00) ADORA2A
SCHEMBL6868028 0.83 ADORA2A (1.00) ADORA2A
SCHEMBL6867961 0.82 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 1 patent. 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 disclosed