SCHEMBL8003533

SCHEMBL8003533

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCC=O)[C@@H](O)[C@H]1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.71
ADORA3 P0DMS8 2/20 0.71
ADORA2A P29274 2/20 0.71
ADORA2B P29275 2/20 0.71
P2RY1 P47900 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
P2RY2 P41231 3/20 0.70
SRC P12931 2/20 0.70
TRPM2 O94759 2/20 0.70
TAS1R3 Q7RTX0 2/20 0.70
TAS1R1 Q7RTX1 2/20 0.70
DNPH1 O43598 1/20 0.70
PRKAB2 O43741 1/20 0.70
LDHA P00338 1/20 0.70
ADRB2 P07550 1/20 0.70
FBP1 P09467 1/20 0.70
PRKAG1 P54619 1/20 0.70
PRKAA2 P54646 1/20 0.70
PDE4D Q08499 1/20 0.70
KCNH2 Q12809 1/20 0.70

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
SCHEMBL4944751 0.90 AHCY (0.69) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL8328542 0.88 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL4870935 0.87 P2RY1 (0.72) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL8582406 0.87 P2RY1 (0.72) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL3302567 0.87 ADORA1 (0.65) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL4916792 0.87 ADORA1 (0.65) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL3306997 0.86 ADORA1 (0.66) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL873362 0.86 ADORA3 (0.72) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL3698839 0.86 ADORA3 (0.72) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL6026018 0.85 P2RY1 (0.70) ADORA1ADORA3ADORA2AADORA2BP2RY1

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
WO-2000008214-A1 OLIGONUCLEOTIDE ANALOGS HAVING MODIFIED DIMERS ISIS PHARMACEUTICALS, INC. (US) 2000-02-17 WO disclosed