SCHEMBL25566747

SCHEMBL25566747

CNC(=O)[C@@]1(C)C[C@@H](n2cnc3c(NCCc4ccccc4)nc(N=[N+]=[N-])nc32)C(O)C1O

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.76
▸ TMIGD3 P0DMS9 7/20 0.76
▸ ADORA2A P29274 3/20 0.76
▸ ADORA1 P30542 4/20 0.57
▸ SLC6A2 P23975 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ ADORA2B P29275 1/20 0.47

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
SCHEMBL20122073 0.87 ADORA3 (1.00) ADORA3TMIGD3ADORA2AADORA1
SCHEMBL16774179 0.87 ADORA3 (1.00) ADORA3TMIGD3ADORA2AADORA1
SCHEMBL18352575 0.82 ADORA3 (0.86) ADORA3TMIGD3ADORA2AADORA1SLC6A2
SCHEMBL21940217 0.81 ADORA3 (0.75) ADORA3TMIGD3ADORA2AADORA1
SCHEMBL22359585 0.78 ADORA3 (0.78) ADORA3TMIGD3ADORA1SLC6A2
SCHEMBL25566746 0.74 ADORA3 (0.68) ADORA3TMIGD3ADORA2AADORA1SLC6A2
SCHEMBL19807422 0.74 ADORA3 (0.75) ADORA3TMIGD3ADORA2AADORA1
SCHEMBL21940221 0.73 ADORA3 (0.75) ADORA3TMIGD3ADORA2AADORA1
SCHEMBL16774384 0.73 ADORA3 (1.00) ADORA3TMIGD3ADORA2AADORA1
SCHEMBL25566683 0.73 ADORA3 (1.00) ADORA3TMIGD3ADORA2AADORA1

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-2023091791-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
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