SCHEMBL7204466

SCHEMBL7204466

CCc1noc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCN5CCOCC5)nc43)[C@H](OC=O)[C@@H]2O)n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.56
ADORA3 P0DMS8 5/20 0.47
ADORA2B P29275 4/20 0.47
ADORA1 P30542 4/20 0.47

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
SCHEMBL7204472 0.96 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7203861 0.95 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7204464 0.92 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7203864 0.91 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7204188 0.91 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7209488 0.90 ADORA2A (0.51) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7102111 0.89 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7099655 0.89 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7202526 0.89 ADORA2A (0.41) ADORA2AADORA3ADORA2B
SCHEMBL7098934 0.87 ADORA2A (0.56) 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