SCHEMBL25566692

SCHEMBL25566692

C=C[C@]1(C(=O)NC)C[C@@H](n2cnc3c(NC4CCC4)nc(N=[N+]=[N-])nc32)C(O)C1O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.68
▸ TMIGD3 P0DMS9 6/20 0.68
▸ ADORA1 P30542 10/20 0.52
▸ ADORA2A P29274 8/20 0.47
▸ HTR2B P41595 2/20 0.47
▸ TMEM97 Q5BJF2 2/20 0.47
▸ ADORA2B P29275 1/20 0.42

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
SCHEMBL25566698 0.86 ADORA3 (0.57) ADORA3TMIGD3ADORA1ADORA2AHTR2B
SCHEMBL16774389 0.81 ADORA3 (1.00) ADORA3TMIGD3ADORA1ADORA2AHTR2B
SCHEMBL22359924 0.78 ADORA3 (0.71) ADORA3TMIGD3ADORA1
SCHEMBL25566680 0.76 ADORA3 (0.62) ADORA3TMIGD3ADORA1ADORA2AADORA2B
SCHEMBL18352618 0.76 ADORA3 (0.84) ADORA3TMIGD3ADORA1ADORA2AHTR2B
SCHEMBL20122153 0.74 ADORA3 (0.66) ADORA3TMIGD3ADORA1ADORA2AADORA2B
SCHEMBL16774268 0.71 ADORA3 (1.00) ADORA3TMIGD3ADORA1ADORA2A
SCHEMBL25566679 0.71 ADORA3 (1.00) ADORA3TMIGD3ADORA1ADORA2A
SCHEMBL16774388 0.71 ADORA3 (1.00) ADORA3TMIGD3ADORA1ADORA2A
SCHEMBL22750488 0.70 ADORA3 (0.57) ADORA3TMIGD3ADORA1ADORA2AADORA2B

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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