SCHEMBL7203801

SCHEMBL7203801

CCCc1noc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCc5cn(C)cn5)nc43)[C@H](OC=O)[C@@H]2O)n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.55
ADORA3 P0DMS8 7/20 0.55
ADORA2B P29275 3/20 0.51
ADORA1 P30542 3/20 0.51

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
SCHEMBL7203805 0.96 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7203796 0.92 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7205271 0.91 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7100389 0.88 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7206736 0.87 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7209488 0.86 ADORA2A (0.51) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7204082 0.85 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7230742 0.85 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7569532 0.85 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7204087 0.85 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1

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
US-6610665-B1 Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US disclosed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP disclosed