SCHEMBL21939546

SCHEMBL21939546

CNC(=O)C1(C)C[C@@H](n2cnc3c(NC)nc(C#Cc4cnco4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.57

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
SCHEMBL23097630 0.87 ADORA3 (0.75) ADORA3
SCHEMBL22359723 0.87 ADORA3 (0.75) ADORA3
SCHEMBL21939669 0.86 ADORA3 (0.71) ADORA3
SCHEMBL22359597 0.85 ADORA3 (0.59) ADORA3
SCHEMBL23097512 0.85 ADORA3 (0.75) ADORA3
SCHEMBL20122059 0.85 ADORA3 (0.77) ADORA3
SCHEMBL21940215 0.85 ADORA3 (0.75) ADORA3
SCHEMBL23097648 0.85 ADORA3 (0.59) ADORA3
SCHEMBL16774144 0.85 ADORA3 (0.77) ADORA3
SCHEMBL22359599 0.85 ADORA3 (0.58) 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
WO-2020168274-A1 TREATMENT OF CHRONIC HEADACHES SAINT LOUIS UNIVERSITY (US) 2020-08-20 — — WO disclosed
WO-2020061211-A1 USE OF HIGHLY-SELECTIVE ADENOSINE 3A RECEPTOR SUBTYPE AGONISTS SAINT LOUIS UNIVERSITY (US) 2020-03-26 — — WO disclosed
Send feedback