SCHEMBL22757376

SCHEMBL22757376

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 15/20 0.56
▸ ADORA1 P30542 12/20 0.53
▸ TMIGD3 P0DMS9 5/20 0.53
▸ HRH2 P25021 1/20 0.52
▸ HTR5A P47898 1/20 0.52
▸ HSP90B1 P14625 1/20 0.49
▸ HTR2B P41595 4/20 0.47
▸ ADORA2A P29274 4/20 0.47
▸ TMEM97 Q5BJF2 2/20 0.47
▸ HTR2C P28335 2/20 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
SCHEMBL20122108 0.90 ADORA3 (0.69) ADORA3ADORA1TMIGD3HRH2HTR5A
SCHEMBL18358011 0.90 ADORA3 (0.69) ADORA3ADORA1TMIGD3HRH2HTR5A
SCHEMBL18352583 0.90 HRH2 (0.52) ADORA3ADORA1TMIGD3HRH2HTR5A
SCHEMBL20122141 0.87 HRH2 (0.51) ADORA3ADORA1TMIGD3HRH2HTR5A
SCHEMBL18358028 0.87 HRH2 (0.51) ADORA3ADORA1TMIGD3HRH2HTR5A
SCHEMBL16774130 0.87 HRH2 (0.51) ADORA3ADORA1TMIGD3HRH2HTR5A
SCHEMBL16774095 0.85 HRH2 (0.68) ADORA3ADORA1TMIGD3HRH2HTR5A
SCHEMBL21779299 0.85 HRH2 (0.68) ADORA3ADORA1TMIGD3HRH2HTR5A
SCHEMBL18357883 0.85 HRH2 (0.68) ADORA3ADORA1TMIGD3HRH2HTR5A
SCHEMBL20122107 0.85 HRH2 (0.68) ADORA3ADORA1TMIGD3HRH2HTR5A

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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