Formic Acid

SCHEMBL7204182

CCc1noc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NC5CCNC5)nc43)[C@H](O)[C@@H]2O)n1.O=CO

nearest known ligand 0.57

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA2A	P29274	19/20	0.57

▸	ADORA3	P0DMS8	6/20	0.48

▸	ADORA2B	P29275	6/20	0.48

▸	ADORA1	P30542	6/20	0.48

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
SCHEMBL7202095	0.97	ADORA2A (0.59)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL7202098	0.97	ADORA2A (0.59)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL7204186	0.92	ADORA2A (0.52)	ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7100256	0.89	ADORA2A (0.57)	ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7208452	0.88	ADORA2A (0.42)	ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7098471	0.87	ADORA2A (0.58)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL7202888	0.86	ADORA2A (0.69)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL8084702	0.86	ADORA2A (0.69)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL7202884	0.86	ADORA2A (0.69)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL8084699	0.86	ADORA2A (0.69)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-6610665-B1	Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease	SMITHKLINE BEECHAM CORPORATION	2003-08-26	—	—	US	disclosed
EP-1056759-B1	2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES	GLAXO GROUP LTD (GB)	2002-09-04	—	—	EP	disclosed