SCHEMBL7069335

SCHEMBL7069335

O[C@@H]1[C@H](O)[C@@H](COCCCF)O[C@H]1n1cnc2c(NC3CCOCC3)nc(Cl)nc21

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.70
NT5E P21589 4/20 0.69
ADORA1 P30542 8/20 0.67
ADORA2A P29274 4/20 0.67
ADORA2B P29275 4/20 0.67
MEN1 O00255 1/20 0.63
CYP1A2 P05177 1/20 0.63
MAPK1 P28482 1/20 0.63
KMT2A Q03164 1/20 0.63
RXFP1 Q9HBX9 1/20 0.62

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
SCHEMBL7069338 1.00 ADORA3 (0.70) ADORA3NT5EADORA1ADORA2AADORA2B
SCHEMBL6659384 0.88 ADORA3 (0.75) ADORA3NT5EADORA1ADORA2AADORA2B
SCHEMBL6659397 0.88 ADORA3 (0.75) ADORA3NT5EADORA1ADORA2AADORA2B
SCHEMBL7067730 0.87 ADORA1 (0.77) ADORA3ADORA1ADORA2AADORA2BRXFP1
SCHEMBL7067723 0.87 ADORA1 (0.77) ADORA3ADORA1ADORA2AADORA2BRXFP1
SCHEMBL7734131 0.86 ADORA3 (0.53) ADORA3NT5EADORA1ADORA2AADORA2B
SCHEMBL6574678 0.85 ADORA3 (0.89) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL6574672 0.85 ADORA3 (0.89) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL31088644 0.82 NT5E (1.00) ADORA3NT5EADORA1ADORA2AADORA2B
SCHEMBL22206560 0.82 NT5E (1.00) ADORA3NT5EADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027363-B1 ADENOSINE A1-RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2003-06-04 EP claimed
US-6407076-B1 ANTIISCHEMIC, ANTILIPOLYTIC, ANTICONVULSANT AND HYPOTENSIVE AGENTS; CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS; ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION 2002-06-18 US claimed
EP-1027363-A2 ADENOSINE A1-RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-16 EP claimed
WO-1999024450-A2 ADENSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO claimed
US-6407076-B1 ANTIISCHEMIC, ANTILIPOLYTIC, ANTICONVULSANT AND HYPOTENSIVE AGENTS; CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS; ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION 2002-06-18 US disclosed
EP-1027363-A2 ADENOSINE A1-RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-16 EP disclosed
WO-1999024450-A2 ADENSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO disclosed