SCHEMBL8329273

SCHEMBL8329273

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCCO)nc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.66
ADORA3 P0DMS8 6/20 0.66
ADORA2B P29275 6/20 0.66
ADORA1 P30542 6/20 0.66

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
SCHEMBL8610761 0.94 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609528 0.94 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609549 0.91 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8610436 0.89 ADORA2A (0.66) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8611836 0.89 ADORA2A (0.78) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8610863 0.89 ADORA2A (0.80) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609340 0.89 ADORA2A (0.80) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609415 0.88 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8610426 0.88 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609379 0.88 ADORA2A (0.61) 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 3 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