SCHEMBL6878740

SCHEMBL6878740

CCOC(=O)N1CCC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](c3nnc(C4CCCC4)o3)[C@@H](O)[C@@H]2O)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.56
ADORA2A P29274 4/20 0.54
ADORA2B P29275 4/20 0.54
ADORA1 P30542 6/20 0.54
PMP22 Q01453 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SLC29A1 Q99808 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MEN1 O00255 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL6572865 1.00 ADORA3 (0.56) ADORA3ADORA2AADORA2BADORA1PMP22
SCHEMBL6576712 0.97 ADORA1 (0.55) ADORA3ADORA2AADORA2BADORA1PMP22
SCHEMBL6573906 0.89 ADORA1 (0.56) ADORA3ADORA2AADORA2BADORA1PMP22
SCHEMBL6575148 0.89 ADORA1 (0.53) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6881499 0.89 ADORA1 (0.53) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6572900 0.88 ADORA1 (0.55) ADORA3ADORA2AADORA2BADORA1PMP22
SCHEMBL6574601 0.88 ADORA1 (0.55) ADORA3ADORA2AADORA2BADORA1PMP22
SCHEMBL6576683 0.87 ADORA2A (0.64) ADORA3ADORA2AADORA2BADORA1PMP22
SCHEMBL6879421 0.86 ADORA1 (0.55) ADORA3ADORA2AADORA2BADORA1PMP22
SCHEMBL6879425 0.86 ADORA1 (0.55) ADORA3ADORA2AADORA2BADORA1PMP22

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-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP disclosed