SCHEMBL7777271

COC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CCNC4CCCCC4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA2A	P29274	12/20	1.00

▸	ADORA3	P0DMS8	3/20	0.57

▸	NT5E	P21589	2/20	0.52

▸	ADORA2B	P29275	1/20	0.52

▸	ADORA1	P30542	1/20	0.52

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
SCHEMBL5695111	1.00	ADORA2A (1.00)	ADORA2AADORA3NT5EADORA2BADORA1
SCHEMBL5695115	1.00	ADORA2A (1.00)	ADORA2AADORA3NT5EADORA2BADORA1
SCHEMBL5694989	0.93	ADORA2A (1.00)	ADORA2AADORA3NT5EADORA2BADORA1
SCHEMBL5695114	0.92	ADORA2A (0.98)	ADORA2AADORA3NT5EADORA2BADORA1
SCHEMBL5694978	0.91	ADORA2A (0.84)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL5695146	0.90	ADORA2A (0.81)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL5695183	0.89	ADORA2A (0.81)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL5694943	0.89	ADORA2A (0.80)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL7777415	0.89	ADORA2A (0.80)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL6916173	0.87	ADORA2A (0.83)	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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-6326359-B1	PURINE DERIVATIVES	PFIZER INC	2001-12-04	—	—	US	disclosed
EP-1121372-A1	ADENINE DERIVATIVES	Pfizer Limited (GB)	2001-08-08	—	—	EP	disclosed
WO-2000023457-A1	ADENINE DERIVATIVES	PFIZER LIMITED (GB)	2000-04-27	—	—	WO	disclosed