SCHEMBL30255348

SCHEMBL30255348

CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccco4)nc31)[C@H](O)[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 1.00

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
SCHEMBL20122172 1.00 ADORA3 (1.00) ADORA3
SCHEMBL16774187 1.00 ADORA3 (1.00) ADORA3
SCHEMBL18352607 0.93 ADORA3 (0.86) ADORA3
SCHEMBL16774261 0.91 ADORA3 (0.83) ADORA3
SCHEMBL20122208 0.91 ADORA3 (0.83) ADORA3
SCHEMBL30255447 0.88 ADORA3 (1.00) ADORA3
SCHEMBL20122173 0.88 ADORA3 (1.00) ADORA3
SCHEMBL16774178 0.88 ADORA3 (1.00) ADORA3
SCHEMBL16774144 0.87 ADORA3 (0.77) ADORA3
SCHEMBL20122059 0.87 ADORA3 (0.77) ADORA3

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
CN-110003212-B A3 adenosine receptor agonists 美国卫生和人力服务部 2022-12-06 — — CN disclosed
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