SCHEMBL6574645

SCHEMBL6574645

Cc1noc([C@H]2O[C@@H](n3cnc4c(N[C@@H]5C[C@@H]6CCC[C@@H]65)ncnc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.51
ADORA3 P0DMS8 5/20 0.50
ADORA2A P29274 3/20 0.50
ADORA2B P29275 3/20 0.50
HIF1A Q16665 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
CYP2D6 P10635 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
SCHEMBL6575289 0.88 ADORA2A (0.64) ADORA1ADORA3ADORA2AADORA2BCYP2D6
SCHEMBL6574959 0.87 ADORA3 (0.62) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL6572906 0.87 ADORA3 (0.60) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL6573829 0.87 ADORA1 (0.66) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL6572451 0.84 ADORA2A (0.62) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL6574214 0.83 ADORA2A (0.57) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL6573819 0.80 ADORA3 (0.63) ADORA1ADORA3ADORA2AADORA2BBLM
SCHEMBL6659887 0.80 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL6257364 0.79 ADORA1 (0.56) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL6257360 0.79 ADORA1 (0.56) ADORA1ADORA3ADORA2AADORA2BHIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP disclosed