SCHEMBL23097537

SCHEMBL23097537

CNC(=O)[C@@]12CC1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)o4)nc31)[C@H](O)[C@@H]2O

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.80
▸ SLC6A2 P23975 1/20 0.74
▸ SLC6A3 Q01959 1/20 0.74
▸ KCNH2 Q12809 1/20 0.74

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
SCHEMBL16774180 1.00 ADORA3 (0.80) ADORA3SLC6A2SLC6A3KCNH2
SCHEMBL20122058 1.00 ADORA3 (0.80) ADORA3SLC6A2SLC6A3KCNH2
SCHEMBL16774097 0.89 ADORA3 (1.00) ADORA3
SCHEMBL20122062 0.89 ADORA3 (1.00) ADORA3
SCHEMBL23097649 0.89 ADORA3 (1.00) ADORA3
SCHEMBL30255389 0.89 ADORA3 (1.00) ADORA3
SCHEMBL16756676 0.87 ADORA3 (1.00) ADORA3
SCHEMBL30255367 0.87 ADORA3 (1.00) ADORA3
SCHEMBL16774285 0.87 ADORA3 (1.00) ADORA3
SCHEMBL20122099 0.87 ADORA3 (1.00) 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
EP-3074398-B1 A3 ADENOSINE RECEPTOR AGONISTS US HEALTH (US) 2021-03-17 — — EP disclosed
Send feedback