SCHEMBL22757352

SCHEMBL22757352

CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCC(F)F)nc(C#C[Si](C)(C)C)nc31)[C@@H]1OC(C)(C)O[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 0.54
▸ ADORA1 P30542 4/20 0.54
▸ ADORA2A P29274 2/20 0.48
▸ HRH2 P25021 1/20 0.47
▸ HTR5A P47898 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
SCHEMBL22757377 0.87 ADORA3 (0.58) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL22757354 0.79 ADORA1 (0.48) ADORA3ADORA1ADORA2A
SCHEMBL22757350 0.76 ADORA3 (0.41) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL18358011 0.76 ADORA3 (0.69) ADORA3ADORA1HRH2HTR5A
SCHEMBL20122108 0.76 ADORA3 (0.69) ADORA3ADORA1HRH2HTR5A
SCHEMBL22757505 0.76 ADORA3 (0.56) ADORA3ADORA1ADORA2A
SCHEMBL29573875 0.75 HRH2 (0.53) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL29573437 0.75 HRH2 (0.51) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL29573861 0.74 HRH2 (0.53) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL29574073 0.74 HTR2B (0.51) ADORA3ADORA1ADORA2AHRH2HTR5A

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-2020247546-A1 ADENOSINE ANALOGS FOR THE TREATMENT OF DISEASE BIOINTERVENE, INC. (US) 2020-12-10 — — WO disclosed
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