SCHEMBL6879425

SCHEMBL6879425

CCOC(=O)N1CCC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](c3ncc(CC)o3)[C@@H](O)[C@@H]2O)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.55
ADORA3 P0DMS8 6/20 0.53
ADORA2A P29274 4/20 0.53
ADORA2B P29275 3/20 0.53
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL6879421 1.00 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL6573236 0.87 ADORA3 (0.61) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL6573247 0.87 ADORA3 (0.61) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL6576712 0.87 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BPMP22
SCHEMBL6572907 0.86 ADORA3 (0.65) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL6572865 0.86 ADORA3 (0.56) ADORA1ADORA3ADORA2AADORA2BPMP22
SCHEMBL6878740 0.86 ADORA3 (0.56) ADORA1ADORA3ADORA2AADORA2BPMP22
SCHEMBL6573828 0.85 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BPMP22
SCHEMBL6573833 0.85 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BPMP22
SCHEMBL6573906 0.85 ADORA1 (0.56) ADORA1ADORA3ADORA2AADORA2BPMP22

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