SCHEMBL13896380

O=C(NC1CCCC1)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O

nearest known ligand 0.55

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	1/20	0.38

▸	CTSS	P25774	1/20	0.35

▸	ADRB3	P13945	1/20	0.34

▸	ADRA2B	P18089	1/20	0.34

▸	ADRA2C	P18825	1/20	0.34

▸	HSD11B1	P28845	1/20	0.31

▸	CYP3A4	P08684	1/20	0.31

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
SCHEMBL3064512	0.92	CTSB (0.40)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3064517	0.92	CTSB (0.40)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2235963	0.87	CTSB (0.39)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL7874837	0.87	CTSB (0.39)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3811003	0.87	CTSB (0.39)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2235968	0.87	CTSB (0.39)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL12844453	0.87	CTSB (0.39)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3967124	0.87	CTSB (0.39)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2632512	0.87	CTSB (0.39)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL7866093	0.87	CTSB (0.39)	CTSBCTSSADRB3ADRA2BADRA2C

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