SCHEMBL7121616

SCHEMBL7121616

CCOC(=O)ON1CCC(Nc2nc(C)nc3c2ncn3[C@@H]2O[C@H](COC(F)(F)F)[C@@H](O)[C@H]2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.52
ADORA1 P30542 9/20 0.51
NT5E P21589 5/20 0.48
ADORA2A P29274 3/20 0.48
ADORA2B P29275 1/20 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
SCHEMBL7067579 0.91 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7068557 0.90 ADORA3 (0.54) ADORA3ADORA1NT5EADORA2AADORA2B
SCHEMBL7067807 0.85 ADORA1 (0.58) ADORA3ADORA1NT5EADORA2AADORA2B
SCHEMBL7067811 0.85 ADORA1 (0.58) ADORA3ADORA1NT5EADORA2AADORA2B
SCHEMBL6663637 0.81 ADORA3 (0.72) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7064488 0.81 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6660843 0.76 ADORA3 (0.81) ADORA3ADORA1NT5EADORA2AADORA2B
SCHEMBL6660828 0.76 ADORA3 (0.81) ADORA3ADORA1NT5EADORA2AADORA2B
SCHEMBL12610019 0.74 ADORA3 (0.81) ADORA3ADORA1NT5EADORA2AADORA2B
SCHEMBL19799156 0.73 ADORA3 (0.79) 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 1 patent. 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