SCHEMBL6863638

SCHEMBL6863638

Nc1cc(C(=O)N2CCCCCC2)cc2nc(-c3ccc(Br)o3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 1.00

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
SCHEMBL6867809 1.00 ADORA2A (1.00) ADORA2A
SCHEMBL6867660 1.00 ADORA2A (1.00) ADORA2A
SCHEMBL6867961 0.99 ADORA2A (1.00) ADORA2A
SCHEMBL6870047 0.91 ADORA2A (0.84) ADORA2A
SCHEMBL6871733 0.90 ADORA2A (1.00) ADORA2A
SCHEMBL6863329 0.88 ADORA2A (0.80) ADORA2A
SCHEMBL6869837 0.88 ADORA2A (1.00) ADORA2A
SCHEMBL6863768 0.88 ADORA2A (0.80) ADORA2A
SCHEMBL6863161 0.88 ADORA2A (0.79) ADORA2A
SCHEMBL6869305 0.87 ADORA2A (0.79) 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
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed