Methane

SCHEMBL6983714

C.CCCCS(=O)(=O)N(CC(=O)O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(N=S(=O)=O)c3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB3	P13945	20/20	0.59

▸	ADRB2	P07550	14/20	0.59

▸	ADRB1	P08588	12/20	0.59

▸	ADRA2A	P08913	1/20	0.40

▸	ADRA2B	P18089	1/20	0.40

▸	ADRA2C	P18825	1/20	0.40

▸	ADRA1D	P25100	1/20	0.40

▸	ADRA1A	P35348	1/20	0.40

▸	ADRA1B	P35368	1/20	0.40

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
SCHEMBL6074698	0.86	ADRB3 (0.79)	ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074704	0.86	ADRB3 (0.79)	ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074324	0.76	ADRB3 (0.68)	ADRB3ADRB2ADRB1ADRA2AADRA2B
Methane SCHEMBL6806610	0.75	ADRB3 (0.45)	ADRB3ADRB2ADRB1
SCHEMBL6074856	0.74	ADRB3 (1.00)	ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074859	0.74	ADRB3 (1.00)	ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074330	0.72	ADRB3 (0.83)	ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074335	0.72	ADRB3 (0.83)	ADRB3ADRB2ADRB1ADRA2AADRA2B
Methane SCHEMBL7561825	0.71	ADRB3 (0.44)	ADRB3ADRB2ADRB1
SCHEMBL13959123	0.71	ADRB3 (0.62)	ADRB3ADRB2ADRB1ADRA2AADRA2B

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-1301482-A1	CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS	Wyeth (US)	2003-04-16	—	—	EP	disclosed
WO-2002006232-A1	CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS	WYETH (US)	2002-01-24	—	—	WO	disclosed