SCHEMBL7064488

SCHEMBL7064488

CCOC(=O)N1CCC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](COC(F)(F)F)[C@@H](O)[C@H]2O)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.65
ADORA1 P30542 14/20 0.63
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
ADORA2A P29274 1/20 0.58
ADORA2B P29275 1/20 0.58

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
SCHEMBL7067579 0.91 ADORA3 (0.61) ADORA3ADORA1TAS1R3TAS1R1ADORA2A
SCHEMBL7068557 0.91 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6658486 0.90 ADORA3 (0.76) ADORA3ADORA1TAS1R3TAS1R1ADORA2A
SCHEMBL6253676 0.90 ADORA1 (0.70) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6671484 0.87 ADORA1 (0.63) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6671490 0.87 ADORA1 (0.63) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6670771 0.86 ADORA3 (0.68) ADORA3ADORA1TAS1R3TAS1R1ADORA2A
SCHEMBL6670776 0.86 ADORA3 (0.68) ADORA3ADORA1TAS1R3TAS1R1ADORA2A
SCHEMBL7067588 0.85 ADORA1 (0.77) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7067593 0.85 ADORA1 (0.77) ADORA3ADORA1ADORA2AADORA2B

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