SCHEMBL8375864

COC[C@H]1O[C@@H](n2cnc3c(Nc4cc(C)c(O)c(C)c4)nc(C)nc32)[C@H](O)[C@@H]1O.COC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(F)cc4)nc(C)nc32)[C@H](O)[C@@H]1O.COC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(O)c(C)c4)nc(C)nc32)[C@H](O)[C@@H]1O.COC[C@H]1O[C@@H](n2cnc3c(Nc4cccc(F)c4)nc(C)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA3	P0DMS8	6/20	0.58

▸	ADORA1	P30542	3/20	0.58

▸	NT5E	P21589	1/20	0.43

▸	DNPH1	O43598	1/20	0.42

▸	ADORA2A	P29274	1/20	0.42

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.

Compound	similarity	top predicted	shared targets
SCHEMBL7527246	0.89	ADORA3 (0.66)	ADORA3ADORA1NT5EADORA2A
SCHEMBL7527254	0.89	ADORA3 (0.66)	ADORA3ADORA1NT5EADORA2A
SCHEMBL7531991	0.89	ADORA3 (0.61)	ADORA3ADORA1NT5EDNPH1ADORA2A
SCHEMBL7531986	0.89	ADORA3 (0.61)	ADORA3ADORA1NT5EDNPH1ADORA2A
SCHEMBL7531052	0.87	ADORA3 (0.61)	ADORA3ADORA1NT5EDNPH1ADORA2A
SCHEMBL7531045	0.87	ADORA3 (0.61)	ADORA3ADORA1NT5EDNPH1ADORA2A
SCHEMBL7529421	0.87	ADORA3 (0.57)	ADORA3ADORA1NT5EADORA2A
SCHEMBL7529437	0.87	ADORA3 (0.57)	ADORA3ADORA1NT5EADORA2A
SCHEMBL7526882	0.85	ADORA3 (0.79)	ADORA3ADORA1NT5EADORA2A
SCHEMBL7526418	0.83	ADORA3 (0.59)	ADORA3ADORA1NT5EDNPH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0901499-A1	ADENOSINE DERIVATIVES	GLAXO GROUP LIMITED (GB)	1999-03-17	—	—	EP	disclosed
WO-1997043300-A1	ADENOSINE DERIVATIVES	GLAXO GROUP LIMITED (GB)	1997-11-20	—	—	WO	disclosed