SCHEMBL29703289

SCHEMBL29703289

O[C@@H]1[C@H](O)CO[C@H]1Cn1cnc2c(NCc3cccc(F)c3)ncnc21

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.71
▸ ADORA2A P29274 7/20 0.71
▸ PPARD Q03181 6/20 0.65
▸ PPARG P37231 6/20 0.65
▸ ADORA1 P30542 5/20 0.59

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
SCHEMBL29703211 1.00 ADORA3 (0.71) ADORA3ADORA2APPARDPPARGADORA1
SCHEMBL29703255 0.90 PPARD (0.77) ADORA3ADORA2APPARDPPARGADORA1
SCHEMBL29703224 0.90 PPARD (0.79) ADORA3ADORA2APPARDPPARGADORA1
SCHEMBL29703227 0.90 PPARD (0.77) ADORA3ADORA2APPARDPPARGADORA1
SCHEMBL29703272 0.90 PPARD (0.79) ADORA3ADORA2APPARDPPARGADORA1
SCHEMBL29703303 0.90 PPARD (0.77) ADORA3ADORA2APPARDPPARGADORA1
SCHEMBL29703315 0.90 PPARD (0.77) ADORA3ADORA2APPARDPPARGADORA1
SCHEMBL29703294 0.87 PPARD (0.85) ADORA3ADORA2APPARDPPARGADORA1
SCHEMBL29703216 0.87 PPARD (0.85) ADORA3ADORA2APPARDPPARGADORA1
SCHEMBL29703269 0.83 PPARG (0.76) ADORA3ADORA2APPARDPPARGADORA1

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-2022124859-A1 1'-HOMOADENOSNE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HYPOADIPONECTINEMIA-ASSOCIATED DISEASES OR PSORIASIS, CONTAINING SAME AS ACTIVE INGREDIENT 서울대학교산학협력단 2022-06-16 — — WO disclosed
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