SCHEMBL25566677

SCHEMBL25566677

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 1.00
▸ ADORA1 P30542 7/20 0.82
▸ TMIGD3 P0DMS9 4/20 0.82

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
SCHEMBL16774370 0.90 ADORA3 (1.00) ADORA3ADORA1TMIGD3
SCHEMBL16774258 0.90 ADORA3 (1.00) ADORA3ADORA1TMIGD3
SCHEMBL19799152 0.89 ADORA3 (0.80) ADORA3ADORA1TMIGD3
SCHEMBL16774492 0.89 ADORA3 (1.00) ADORA3ADORA1TMIGD3
SCHEMBL20122156 0.89 ADORA3 (1.00) ADORA3ADORA1TMIGD3
SCHEMBL25566686 0.89 ADORA3 (1.00) ADORA3ADORA1TMIGD3
SCHEMBL16774444 0.89 ADORA3 (1.00) ADORA3ADORA1TMIGD3
SCHEMBL25612586 0.88 ADORA3 (1.00) ADORA3ADORA1TMIGD3
SCHEMBL3727163 0.88 ADORA3 (1.00) ADORA3ADORA1TMIGD3
SCHEMBL25566630 0.86 ADORA3 (0.75) ADORA3ADORA1TMIGD3

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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