SCHEMBL29573437

SCHEMBL29573437

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.51
▸ HTR5A P47898 1/20 0.51
▸ ADORA3 P0DMS8 17/20 0.47
▸ ADORA1 P30542 15/20 0.47
▸ ADORA2A P29274 11/20 0.47
▸ HTR2B P41595 7/20 0.44
▸ TMIGD3 P0DMS9 2/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ HSP90B1 P14625 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ TMEM97 Q5BJF2 2/20 0.43

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
SCHEMBL29573920 0.91 HRH2 (0.52) HRH2HTR5AADORA3ADORA1ADORA2A
SCHEMBL29574318 0.91 ADORA3 (0.53) HRH2HTR5AADORA3ADORA1ADORA2A
SCHEMBL26969055 0.90 HRH2 (0.49) HRH2HTR5AADORA3ADORA1ADORA2A
SCHEMBL29574766 0.89 HRH2 (0.51) HRH2HTR5AADORA3ADORA1ADORA2A
SCHEMBL29573475 0.88 HRH2 (0.49) HRH2HTR5AADORA3ADORA1ADORA2A
SCHEMBL29573861 0.86 HRH2 (0.53) HRH2HTR5AADORA3ADORA1ADORA2A
SCHEMBL29573869 0.85 HRH2 (0.52) HRH2HTR5AADORA3ADORA1ADORA2A
SCHEMBL29573817 0.85 HSP90B1 (0.52) HRH2HTR5AADORA3ADORA1ADORA2A
SCHEMBL29573284 0.85 ADORA3 (0.62) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29574457 0.80 ADORA3 (0.54) HRH2HTR5AADORA3ADORA1ADORA2A

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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