SCHEMBL23097531

SCHEMBL23097531

CNC(=O)C12CC1[C@H]1C(n3cnc4c(NC)nc(C#Cc5cccs5)nc43)[C@@]1(O)[C@@H]2O

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.73
▸ KCNH2 Q12809 2/20 0.73
▸ SLC6A2 P23975 2/20 0.55
▸ SLC6A3 Q01959 2/20 0.55
▸ ADORA2A P29274 2/20 0.55
▸ CYP2D6 P10635 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
SCHEMBL21939553 1.00 ADORA3 (0.73) ADORA3KCNH2SLC6A2SLC6A3ADORA2A
SCHEMBL21939549 0.88 ADORA3 (0.72) ADORA3KCNH2
SCHEMBL24294384 0.87 ADORA3 (0.72) ADORA3ADORA2A
SCHEMBL21779273 0.86 ADORA3 (0.73) ADORA3KCNH2ADORA2A
SCHEMBL21939545 0.85 ADORA3 (0.58) ADORA3ADORA2A
SCHEMBL20122095 0.85 ADORA3 (0.73) ADORA3ADORA2A
SCHEMBL20122184 0.85 ADORA3 (0.58) ADORA3ADORA2A
SCHEMBL16774171 0.84 ADORA3 (1.00) ADORA3KCNH2SLC6A2SLC6A3ADORA2A
SCHEMBL20122183 0.84 ADORA3 (1.00) ADORA3KCNH2SLC6A2SLC6A3ADORA2A
SCHEMBL30255407 0.84 ADORA3 (1.00) ADORA3KCNH2SLC6A2SLC6A3ADORA2A

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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