SCHEMBL5501190

SCHEMBL5501190

CC(ON(C)C)n1c(N)nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.56
ADORA2B P29275 7/20 0.56
SLC29A1 Q99808 2/20 0.54
ADORA3 P0DMS8 2/20 0.53
ADORA1 P30542 1/20 0.53
CYP2C19 P33261 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
SCHEMBL7867680 0.91 ADORA2A (0.60) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL1138803 0.88 ADORA2A (0.60) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL7752324 0.87 ADORA2A (0.59) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL195449 0.85 ADORA3 (0.57) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL6829360 0.85 ADORA2A (0.57) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL15413277 0.83 ADORA2A (0.55) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL5964932 0.82 CYP2C19 (0.59) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL6630142 0.82 ADORA2A (0.60) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL62505 0.80 CYP2C19 (0.62) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL14931005 0.80 CYP2C19 (0.62) ADORA2AADORA2BADORA3ADORA1CYP2C19

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-0977767-B1 AMINOOXY-MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2007-09-19 EP disclosed