SCHEMBL25566749

SCHEMBL25566749

CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(N)nc31)C(O)C2O

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 0.82
▸ ADORA1 P30542 7/20 0.82
▸ TMIGD3 P0DMS9 3/20 0.82
▸ ADORA2A P29274 6/20 0.75
▸ ADORA2B P29275 1/20 0.62
▸ HTR2B P41595 1/20 0.61

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
SCHEMBL20122155 0.90 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL18358010 0.90 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL25566685 0.86 ADORA3 (0.82) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL16774179 0.86 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL20122073 0.86 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL3727163 0.84 ADORA3 (1.00) ADORA3ADORA1TMIGD3
SCHEMBL20694159 0.83 ADORA3 (0.92) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL23097505 0.82 ADORA3 (1.00) ADORA3TMIGD3
SCHEMBL20122072 0.82 ADORA3 (1.00) ADORA3TMIGD3
SCHEMBL16774266 0.82 ADORA3 (1.00) ADORA3TMIGD3

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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