SCHEMBL5094362

SCHEMBL5094362

CCn1nnc([C@H]2O[C@@H](n3cnc4c(N(CO)CCc5ccccc5)nc(NCCN5CCOCC5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 18/20 0.54
ADORA2A P29274 18/20 0.54
ADORA2B P29275 13/20 0.54
ADORA1 P30542 13/20 0.54

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
Formic Acid SCHEMBL7452270 0.97 ADORA3 (0.51) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5089281 0.94 ADORA2A (0.53) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7452277 0.91 ADORA3 (0.45) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5094350 0.89 ADORA3 (0.52) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7463422 0.88 ADORA3 (0.53) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5094390 0.88 ADORA2A (0.48) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5094417 0.87 ADORA2A (0.48) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5086047 0.87 ADORA3 (0.57) ADORA3ADORA2AADORA2BADORA1
Formic Acid SCHEMBL7224826 0.86 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1
Acetic Acid SCHEMBL7223368 0.86 ADORA3 (0.51) ADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4156035-B2 2008-09-24 JP claimed
EP-0948509-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-16 EP claimed
US-6426337-B1 ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2002-07-30 US claimed
JP-2001506668-A 2001-05-22 JP claimed
EP-0948509-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-10-13 EP claimed
WO-1998028319-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-07-02 WO claimed