SCHEMBL13896352

O=C(N[C@H]1CCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3CCc4ccccc4C3)CN2C1=O)O[C@@H]1CCOC1

nearest known ligand 0.50

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB3	P13945	1/20	0.38

▸	ADRA2B	P18089	1/20	0.38

▸	ADRA2C	P18825	1/20	0.38

▸	CTSB	P07858	1/20	0.37

▸	CTSS	P25774	1/20	0.33

▸	CYP3A4	P08684	2/20	0.32

▸	ADAM10	O14672	4/20	0.31

▸	MMP2	P08253	4/20	0.31

▸	MMP1	P03956	2/20	0.30

▸	MMP3	P08254	2/20	0.30

▸	MMP9	P14780	2/20	0.30

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
SCHEMBL8278899	0.99	ADRB3 (0.39)	ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL3968541	0.99	ADRB3 (0.39)	ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL8277043	0.99	ADRB3 (0.39)	ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL3969376	0.99	ADRB3 (0.39)	ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL8278252	0.97	ADRB3 (0.41)	ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL13892488	0.97	ADRB3 (0.41)	ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL3969646	0.97	ADRB3 (0.41)	ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL3969673	0.95	ADRB3 (0.39)	ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL13892479	0.95	ADRB3 (0.39)	ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL13892448	0.95	ADRB3 (0.39)	ADRB3ADRA2BADRA2CCTSBCTSS

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1680137-B1	Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication	HOFFMANN LA ROCHE (CH)	2012-11-21	—	—	EP	disclosed