SCHEMBL6574494

SCHEMBL6574494

CCc1cc([C@H]2O[C@@H](n3cnc4c(NC5CCN(C(=O)O)C(CC)C5)nc(OC)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 0.41
ADORA1 P30542 8/20 0.41
ADORA2A P29274 7/20 0.41
ADORA2B P29275 4/20 0.41
NT5E P21589 1/20 0.38

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
SCHEMBL6576874 0.91 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6573093 0.88 ADORA1 (0.48) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6576751 0.86 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6574496 0.85 ADORA3 (0.44) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6576860 0.85 ADORA3 (0.44) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6574597 0.84 ADORA3 (0.46) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6574690 0.84 ADORA1 (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6572752 0.80 ADORA2A (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6572760 0.77 ADORA3 (0.47) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL6575072 0.77 ADORA3 (0.54) 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-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP claimed