SCHEMBL6574568

SCHEMBL6574568

CCOC(=O)ON1CCC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](c3nnc(C(C)(C)C)o3)[C@@H](O)[C@H]2O)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.51
ADORA1 P30542 6/20 0.51
ADORA2A P29274 4/20 0.51
ADORA2B P29275 4/20 0.51
PMP22 Q01453 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
SLC29A1 Q99808 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL6573906 0.92 ADORA1 (0.56) ADORA3ADORA1ADORA2AADORA2BPMP22
SCHEMBL6572900 0.85 ADORA1 (0.55) ADORA3ADORA1ADORA2AADORA2BPMP22
SCHEMBL6574601 0.85 ADORA1 (0.55) ADORA3ADORA1ADORA2AADORA2BPMP22
SCHEMBL6573870 0.84 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2BPMP22
SCHEMBL6574578 0.83 ADORA2A (0.60) ADORA3ADORA1ADORA2AADORA2BPMP22
SCHEMBL6572804 0.82 ADORA2A (0.55) ADORA3ADORA1ADORA2AADORA2BPMP22
SCHEMBL6576712 0.82 ADORA1 (0.55) ADORA3ADORA1ADORA2AADORA2BPMP22
SCHEMBL6663637 0.81 ADORA3 (0.72) ADORA3ADORA1ADORA2AADORA2BPMP22
SCHEMBL6572865 0.81 ADORA3 (0.56) ADORA3ADORA1ADORA2AADORA2BPMP22
SCHEMBL6878740 0.81 ADORA3 (0.56) ADORA3ADORA1ADORA2AADORA2BPMP22

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-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP claimed