SCHEMBL7067579

SCHEMBL7067579

CCOC(=O)ON1CCC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](COC(F)(F)F)[C@@H](O)[C@H]2O)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.61
ADORA1 P30542 14/20 0.56
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55

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
SCHEMBL7064488 0.91 ADORA3 (0.65) ADORA3ADORA1TAS1R3TAS1R1ADORA2A
SCHEMBL6663637 0.91 ADORA3 (0.72) ADORA3ADORA1TAS1R3TAS1R1ADORA2A
SCHEMBL7121616 0.91 ADORA3 (0.52) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7067588 0.83 ADORA1 (0.77) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7067593 0.83 ADORA1 (0.77) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7068557 0.82 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7064261 0.82 ADORA2A (0.68) ADORA3ADORA1TAS1R3TAS1R1ADORA2A
SCHEMBL6658486 0.81 ADORA3 (0.76) ADORA3ADORA1TAS1R3TAS1R1ADORA2A
SCHEMBL6253676 0.81 ADORA1 (0.70) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6574568 0.80 ADORA3 (0.51) 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