SCHEMBL21939545

SCHEMBL21939545

CNC(=O)C12CC1[C@H]1[C@@H](n3cnc4c(NC)nc(C#Cc5ccc[nH]5)nc43)[C@@]1(O)[C@@H]2O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.58
▸ ADORA2A P29274 1/20 0.55

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
SCHEMBL20122184 1.00 ADORA3 (0.58) ADORA3ADORA2A
SCHEMBL24294384 0.85 ADORA3 (0.72) ADORA3ADORA2A
SCHEMBL21939553 0.85 ADORA3 (0.73) ADORA3ADORA2A
SCHEMBL23097531 0.85 ADORA3 (0.73) ADORA3ADORA2A
SCHEMBL20122095 0.85 ADORA3 (0.73) ADORA3ADORA2A
SCHEMBL21779308 0.84 ADORA3 (0.79) ADORA3
SCHEMBL16774405 0.84 ADORA3 (0.79) ADORA3
SCHEMBL30255500 0.84 ADORA3 (0.79) ADORA3
SCHEMBL20122164 0.84 ADORA3 (0.76) ADORA3ADORA2A
SCHEMBL21779273 0.83 ADORA3 (0.73) ADORA3ADORA2A

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-2020061211-A1 USE OF HIGHLY-SELECTIVE ADENOSINE 3A RECEPTOR SUBTYPE AGONISTS SAINT LOUIS UNIVERSITY (US) 2020-03-26 — — WO disclosed
Send feedback