SCHEMBL6663637

SCHEMBL6663637

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

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.72
ADORA1 P30542 12/20 0.60
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
ADORA2A P29274 2/20 0.58
ADORA2B P29275 2/20 0.58
PMP22 Q01453 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
SLC29A1 Q99808 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56

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
SCHEMBL6658486 0.90 ADORA3 (0.76) ADORA3ADORA1TAS1R3TAS1R1ADORA2A
SCHEMBL14906549 0.84 ADORA3 (1.00) ADORA3ADORA1TAS1R3TAS1R1ADORA2A
SCHEMBL13268988 0.83 ADORA3 (0.98) ADORA3ADORA1TAS1R3TAS1R1ADORA2A
SCHEMBL6660596 0.82 ADORA3 (0.86) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL6660602 0.82 ADORA3 (0.86) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL6660699 0.82 ADORA3 (0.84) ADORA3ADORA1TAS1R3TAS1R1ADORA2A
SCHEMBL6253676 0.81 ADORA1 (0.70) ADORA3ADORA1ADORA2AADORA2BPMP22
SCHEMBL7121616 0.81 ADORA3 (0.52) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7064488 0.81 ADORA3 (0.65) ADORA3ADORA1TAS1R3TAS1R1ADORA2A

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-1030856-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP claimed