SCHEMBL21939547

SCHEMBL21939547

CNC(=O)C1(C)C[C@@](C)(n2cnc3c(NC4CCC4)nc(C#Cc4ccco4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 0.54
▸ TMIGD3 P0DMS9 1/20 0.41
▸ ADORA2A P29274 2/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ TMEM97 Q5BJF2 2/20 0.39

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
SCHEMBL24615116 0.82 ADORA3 (0.59) ADORA3TMIGD3ADORA2A
SCHEMBL20122208 0.81 ADORA3 (0.83) ADORA3TMIGD3ADORA2AADORA1HTR2B
SCHEMBL16774261 0.81 ADORA3 (0.83) ADORA3TMIGD3ADORA2AADORA1HTR2B
SCHEMBL24615197 0.80 ADORA3 (0.49) ADORA3TMIGD3
SCHEMBL22359741 0.79 ADORA3 (0.56) ADORA3TMIGD3ADORA2AADORA1HTR2B
SCHEMBL20122119 0.77 ADORA3 (0.61) ADORA3TMIGD3ADORA2AADORA1HTR2B
SCHEMBL18352572 0.76 ADORA3 (0.71) ADORA3TMIGD3ADORA2AADORA1HTR2B
SCHEMBL20122112 0.76 ADORA3 (0.56) ADORA3ADORA2AADORA1
SCHEMBL21940209 0.74 CTSL (0.46) ADORA3ADORA2AADORA1
SCHEMBL24615189 0.73 ADORA3 (0.68) 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
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