SCHEMBL8322788

SCHEMBL8322788

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N[C@H]4CC[C@@H](O)CC4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.90
ADORA3 P0DMS8 6/20 0.74
ADORA2B P29275 6/20 0.74
ADORA1 P30542 6/20 0.74

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
SCHEMBL8609483 1.00 ADORA2A (0.90) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8326918 1.00 ADORA2A (0.90) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8330283 0.96 ADORA2A (0.85) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8324807 0.96 ADORA2A (0.85) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8608676 0.96 ADORA2A (0.85) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8607047 0.96 ADORA2A (0.85) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8328289 0.96 ADORA2A (0.85) ADORA2AADORA3ADORA2BADORA1
Hydrochloric Acid SCHEMBL8609323 0.95 ADORA2A (0.84) ADORA2AADORA3ADORA2BADORA1
Hydrochloric Acid SCHEMBL8324271 0.95 ADORA2A (0.84) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609426 0.95 ADORA2A (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925624-A ANTIINFLAMMATORY AGENTS TREATING PATIENTS WITH INFLAMMATORY CONDITIONS SUSCEPTIBLE TO LEUKOCYTE-INDUCED TISSUE DAMAGE GLAXO GROUP LIMITED (GB) 1999-07-20 US disclosed
US-5889178-A N-(2,2-DIPHENYLETHYL)-DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-30 US disclosed
EP-0680488-B1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LTD (GB) 1998-04-08 EP disclosed
EP-0680488-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1995-11-08 EP disclosed
WO-1994017090-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-08-04 WO disclosed