SCHEMBL14148783

SCHEMBL14148783

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CC4CCN(C(=O)OC)CC4)nc32)C(O)C1O

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 20/20 0.70
▸ ADORA3 P0DMS8 5/20 0.70
▸ ADORA2B P29275 5/20 0.70
▸ ADORA1 P30542 5/20 0.70

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
SCHEMBL14533000 0.88 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL13296396 0.88 ADORA2A (0.66) ADORA2AADORA3ADORA2BADORA1
SCHEMBL3425443 0.88 ADORA2A (0.66) ADORA2AADORA3ADORA2BADORA1
SCHEMBL13314261 0.88 ADORA2A (0.66) ADORA2AADORA3ADORA2BADORA1
SCHEMBL14532884 0.87 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
SCHEMBL14148777 0.86 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5411319 0.85 ADORA2A (0.81) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5416149 0.84 ADORA2A (0.80) ADORA2AADORA3ADORA2BADORA1
SCHEMBL13385561 0.84 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL14532795 0.84 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1

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
US-7396825-B2 Agonists of A2A adenosine receptors for treatment of diabetic nephropathy UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-07-08 — — US disclosed
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