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Sugi Predict / Compounds / SCHEMBL5764097

SCHEMBL5764097

SCHEMBL5764097

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CNS(=O)(=O)CC(C)C)nc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 20/20 0.59
▸ ADORA3 P0DMS8 4/20 0.56
▸ ADORA2B P29275 4/20 0.56
▸ ADORA1 P30542 4/20 0.56

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
SCHEMBL5764105 1.00 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5764329 0.91 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5764321 0.91 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5762878 0.89 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5764746 0.89 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5764752 0.89 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7070058 0.86 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7070061 0.86 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7213320 0.86 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7075286 0.85 ADORA2A (0.44) 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
EP-1220862-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2006-03-22 — — EP disclosed