SCHEMBL16756676

SCHEMBL16756676

CNC(=O)C12C[C@@H]1C(n1cnc3c(NC)nc(C#Cc4cc(C)c(C)o4)nc31)C(O)C2O

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
SCHEMBL30255367 1.00 ADORA3 (1.00) ADORA3
SCHEMBL16774285 1.00 ADORA3 (1.00) ADORA3
SCHEMBL20122099 1.00 ADORA3 (1.00) ADORA3
SCHEMBL18352468 0.93 ADORA3 (0.86) ADORA3
SCHEMBL30255299 0.88 ADORA3 (1.00) ADORA3
SCHEMBL16774175 0.88 ADORA3 (1.00) ADORA3
SCHEMBL20122063 0.88 ADORA3 (1.00) ADORA3
SCHEMBL23097537 0.87 ADORA3 (0.80) ADORA3
SCHEMBL16774180 0.87 ADORA3 (0.80) ADORA3
SCHEMBL20122058 0.87 ADORA3 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074398-A1 A3 ADENOSINE RECEPTOR AGONISTS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2016-10-05 — — EP disclosed
WO-2015080940-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-06-04 — — WO disclosed
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