SCHEMBL24601244

SCHEMBL24601244

CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(-c4cncc(OC)c4)nc32)C[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.54
▸ ADORA1 P30542 9/20 0.54
▸ ADORA2A P29274 8/20 0.54
▸ ADORA2B P29275 1/20 0.54
▸ HTR2B P41595 2/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 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
SCHEMBL24601249 0.94 ADORA3 (0.46) ADORA3ADORA1ADORA2AADORA2BHTR2B
SCHEMBL24600944 0.93 ADORA3 (0.50) ADORA3ADORA1ADORA2AADORA2BHTR2B
SCHEMBL24600752 0.93 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BHTR2B
SCHEMBL24600971 0.92 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2BHTR2B
SCHEMBL24600736 0.91 ADORA3 (0.55) ADORA3ADORA1ADORA2AADORA2BHTR2B
SCHEMBL24600954 0.90 ADORA3 (0.45) ADORA3ADORA1ADORA2AADORA2BHTR2B
SCHEMBL24600750 0.89 ADORA3 (0.45) ADORA3ADORA1ADORA2AADORA2BHTR2B
SCHEMBL24600738 0.88 ADORA3 (0.45) ADORA3ADORA1ADORA2AADORA2BHTR2B
SCHEMBL24601375 0.88 ADORA3 (0.70) ADORA3ADORA1ADORA2AADORA2BHTR2B
SCHEMBL29762278 0.88 ADORA3 (0.70) ADORA3ADORA1ADORA2AADORA2BHTR2B

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-2022143740-A1 ADENOSINE A3 RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江春禾医药科技有限公司 2022-07-07 — — WO disclosed
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