SCHEMBL25566746

SCHEMBL25566746

C=C[C@]1(C(=O)NC)C[C@@H](n2cnc3c(NCCc4ccccc4)nc(I)nc32)C(O)C1O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 0.68
▸ ADORA1 P30542 6/20 0.68
▸ TMIGD3 P0DMS9 4/20 0.68
▸ ADORA2A P29274 3/20 0.56
▸ ADORA2B P29275 1/20 0.48
▸ SLC6A2 P23975 1/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.45

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 0.81 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL18358010 0.81 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL18352574 0.76 ADORA3 (0.85) ADORA3ADORA1TMIGD3ADORA2ASLC6A2
SCHEMBL25566680 0.75 ADORA3 (0.62) ADORA3ADORA1TMIGD3ADORA2AADORA2B
SCHEMBL16774409 0.74 ADORA3 (0.67) ADORA3ADORA1TMIGD3ADORA2AADORA2B
SCHEMBL25566747 0.74 ADORA3 (0.76) ADORA3ADORA1TMIGD3ADORA2AADORA2B
SCHEMBL25566681 0.73 ADORA3 (0.71) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL21940221 0.73 ADORA3 (0.75) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL25566749 0.71 ADORA3 (0.82) ADORA3ADORA1TMIGD3ADORA2AADORA2B
SCHEMBL25566698 0.71 ADORA3 (0.57) ADORA3ADORA1TMIGD3ADORA2AADORA2B

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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