SCHEMBL6661744

SCHEMBL6661744

O[C@@H]1[C@H](O)[C@@H](CF)O[C@H]1n1cnc2c(N[C@@H]3C[C@@H]4CC[C@H]3C4)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 1.00
ADORA3 P0DMS8 5/20 0.84
ADORA2A P29274 4/20 0.84
ADORA2B P29275 2/20 0.84
HIF1A Q16665 1/20 0.84
LMNA P02545 1/20 0.84
MAPT P10636 1/20 0.84
BLM P54132 1/20 0.84
PMP22 Q01453 1/20 0.84
HTR7 P34969 1/20 0.83
TMEM97 Q5BJF2 1/20 0.83
SIGMAR1 Q99720 1/20 0.83

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
SCHEMBL6661752 1.00 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL6663421 1.00 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL6663426 1.00 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL14829269 0.92 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL10529743 0.92 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL12265125 0.92 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL13276118 0.92 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL2248193 0.92 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL21033426 0.92 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL10608249 0.92 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457495-A1 Adenosine A1 receptor agonists GLAXO GROUP LIMITED (GB) 2004-09-15 EP claimed
EP-1030857-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP claimed
EP-1030857-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP claimed
WO-1999024449-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO claimed
EP-1457495-A1 Adenosine A1 receptor agonists GLAXO GROUP LIMITED (GB) 2004-09-15 EP disclosed
EP-1030857-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
US-6455510-B1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed
EP-1030857-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
WO-1999024449-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO disclosed