SCHEMBL7067723

SCHEMBL7067723

O[C@@H]1[C@H](O)[C@@H](COCCCF)O[C@H]1n1cnc2c(NC3CCOCC3)ncnc21

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.77
ADORA3 P0DMS8 8/20 0.77
ADORA2A P29274 4/20 0.77
ADORA2B P29275 3/20 0.65
SLC29A1 Q99808 2/20 0.65
SLC28A1 O00337 1/20 0.65
PMP22 Q01453 1/20 0.61
GAA P10253 1/20 0.61
HTT P42858 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61

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
SCHEMBL7067730 1.00 ADORA1 (0.77) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL7067118 0.88 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL7067115 0.88 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL7069338 0.87 ADORA3 (0.70) ADORA1ADORA3ADORA2AADORA2BRXFP1
SCHEMBL7069335 0.87 ADORA3 (0.70) ADORA1ADORA3ADORA2AADORA2BRXFP1
SCHEMBL6661352 0.87 ADORA3 (1.00) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL6661361 0.87 ADORA3 (1.00) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL6660602 0.87 ADORA3 (0.86) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL6660596 0.87 ADORA3 (0.86) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL6671330 0.86 ADORA1 (0.71) ADORA1ADORA3ADORA2AADORA2BSLC29A1

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