SCHEMBL23097648

SCHEMBL23097648

CNC(=O)[C@@]1(C)C[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(Cl)o4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.59
▸ SLC6A2 P23975 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ ADORA2A P29274 1/20 0.54

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
SCHEMBL22359597 1.00 ADORA3 (0.59) ADORA3SLC6A2SLC6A3KCNH2ADORA2A
SCHEMBL22359598 0.89 ADORA3 (0.75) ADORA3
SCHEMBL22359723 0.87 ADORA3 (0.75) ADORA3
SCHEMBL23097630 0.87 ADORA3 (0.75) ADORA3
SCHEMBL21940215 0.87 ADORA3 (0.75) ADORA3SLC6A2SLC6A3KCNH2
SCHEMBL23097512 0.87 ADORA3 (0.75) ADORA3SLC6A2SLC6A3KCNH2
SCHEMBL21939669 0.86 ADORA3 (0.71) ADORA3
SCHEMBL23097537 0.85 ADORA3 (0.80) ADORA3SLC6A2SLC6A3KCNH2
SCHEMBL21939546 0.85 ADORA3 (0.57) ADORA3
SCHEMBL16774180 0.85 ADORA3 (0.80) ADORA3SLC6A2SLC6A3KCNH2

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
EP-3074398-B1 A3 ADENOSINE RECEPTOR AGONISTS US HEALTH (US) 2021-03-17 — — EP disclosed
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