SCHEMBL29573575

SCHEMBL29573575

CC1(C)O[C@H]2[C@H](n3cnc4c(Cl)cc(Cl)nc43)[C@H]3C[C@@]3(CO)[C@H]2O1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 15/20 0.47
▸ HTR2C P28335 14/20 0.47
▸ ADORA3 P0DMS8 6/20 0.47
▸ TMIGD3 P0DMS9 9/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90B1 P14625 1/20 0.45
▸ HRH2 P25021 1/20 0.44
▸ HTR5A P47898 1/20 0.44
▸ ADORA1 P30542 10/20 0.44
▸ ADORA2A P29274 8/20 0.44
▸ SLC6A3 Q01959 3/20 0.42
▸ CHRM3 P20309 1/20 0.41
▸ TSPO P30536 1/20 0.41
▸ ADRB3 P13945 1/20 0.41

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
SCHEMBL19415065 0.85 HTR2B (0.55) HTR2BHTR2CADORA3TMIGD3HSP90AA1
SCHEMBL12269794 0.85 HTR2B (0.55) HTR2BHTR2CADORA3TMIGD3HSP90AA1
SCHEMBL12269824 0.84 ADORA3 (0.66) HTR2BHTR2CADORA3TMIGD3HSP90AA1
SCHEMBL29573480 0.82 HRH2 (0.39) HTR2BHTR2CADORA3TMIGD3HSP90AA1
SCHEMBL29574284 0.82 HRH2 (0.53) HTR2BHTR2CADORA3TMIGD3HSP90AA1
SCHEMBL29573472 0.81 HRH2 (0.42) HTR2BHTR2CADORA3TMIGD3HSP90AA1
SCHEMBL29573861 0.80 HRH2 (0.53) HTR2BHTR2CADORA3TMIGD3HSP90B1
SCHEMBL26534074 0.79 ADORA3 (0.67) HTR2BHTR2CADORA3HSP90AA1HSP90B1
SCHEMBL31350145 0.78 HTR2B (0.72) HTR2BHTR2CADORA3TMIGD3HRH2
SCHEMBL31350228 0.77 HTR2B (0.72) HTR2BHTR2CADORA3TMIGD3HRH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4196219-A1 A3 ADENOSINE RECEPTOR AGONISTS FOR USE IN MEDICINE Biointervene, Inc. (US) 2023-06-21 — — EP disclosed
WO-2022040241-A1 A3 ADENOSINE RECEPTOR AGONISTS FOR USE IN MEDICINE BIOINTERVENE, INC. (US) 2022-02-24 — — WO disclosed
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