SCHEMBL7455168

SCHEMBL7455168

Cn1nnc([C@H]2O[C@@H](n3cnc4c(N(CO)CCc5ccccc5)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 0.47
ADORA2A P29274 16/20 0.47
ADORA1 P30542 15/20 0.47
ADORA2B P29275 15/20 0.45

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 SCHEMBL7221846 0.96 ADORA3 (0.44) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7456601 0.92 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7221852 0.89 ADORA2A (0.38) ADORA3ADORA2AADORA1ADORA2B
Formic Acid SCHEMBL7230913 0.88 ADORA3 (0.54) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7459232 0.86 ADORA3 (0.52) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5086039 0.86 ADORA2A (0.49) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5089427 0.85 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5094390 0.85 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7229989 0.85 ADORA2A (0.46) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7455516 0.84 PGK1 (0.46) ADORA3ADORA2AADORA1ADORA2B

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-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