SCHEMBL5764752

SCHEMBL5764752

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

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.73
ADORA3 P0DMS8 5/20 0.71
ADORA2B P29275 5/20 0.71
ADORA1 P30542 5/20 0.71

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
SCHEMBL5764746 1.00 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5762878 1.00 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5763570 0.94 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5764520 0.94 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6329934 0.94 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5764526 0.94 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5762287 0.92 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5765248 0.92 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5764454 0.92 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5765253 0.92 ADORA2A (0.72) 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 claimed