SCHEMBL29574083

SCHEMBL29574083

CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCC4CCC4)cc(Cl)nc31)[C@H](O)[C@@H]2O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 15/20 0.63
▸ ADORA1 P30542 11/20 0.60
▸ HTR2B P41595 7/20 0.60
▸ ADORA2A P29274 3/20 0.60
▸ TMEM97 Q5BJF2 2/20 0.60
▸ HSP90B1 P14625 1/20 0.59
▸ TMIGD3 P0DMS9 5/20 0.58
▸ HTR2C P28335 3/20 0.58
▸ SLC6A3 Q01959 1/20 0.57

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
SCHEMBL29573830 0.97 ADORA3 (0.62) ADORA3ADORA1HTR2BADORA2ATMEM97
SCHEMBL29573481 0.89 ADORA3 (0.70) ADORA3ADORA1HTR2BADORA2ATMEM97
SCHEMBL29575011 0.88 ADORA3 (0.70) ADORA3ADORA1HTR2BADORA2ATMEM97
SCHEMBL26969054 0.88 ADORA3 (0.70) ADORA3ADORA1HTR2BADORA2ATMEM97
SCHEMBL29573850 0.87 ADORA3 (0.63) ADORA3ADORA1HTR2BADORA2ATMEM97
SCHEMBL29573284 0.86 ADORA3 (0.62) ADORA3ADORA1HTR2BADORA2ATMEM97
SCHEMBL29573475 0.85 HRH2 (0.49) ADORA3ADORA1HTR2BADORA2ATMEM97
SCHEMBL29573974 0.82 HSP90B1 (0.69) ADORA3ADORA1HTR2BHSP90B1TMIGD3
SCHEMBL29574766 0.82 HRH2 (0.51) ADORA3ADORA1HTR2BADORA2ATMEM97
SCHEMBL29574286 0.81 HSP90B1 (0.74) ADORA3ADORA1HTR2BADORA2ATMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116457356-A A3 adenosine receptor agonists for use in medicine 生物干预公司 2023-07-18 — — CN disclosed
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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