SCHEMBL7928661

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCO[C@H](C)C(=O)N4C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	1/20	0.70

▸	CTSS	P25774	1/20	0.46

▸	ADRB3	P13945	1/20	0.43

▸	ADRA2B	P18089	1/20	0.43

▸	ADRA2C	P18825	1/20	0.43

▸	CYP3A4	P08684	3/20	0.39

▸	KDM4E	B2RXH2	2/20	0.32

▸	ALDH1A1	P00352	2/20	0.32

▸	SMN1; SMN2	Q16637	1/20	0.32

▸	GAA	P10253	1/20	0.30

▸	TACR3	P29371	1/20	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
SCHEMBL7930413	0.94	CTSB (0.61)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2431712	0.92	CTSB (0.71)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13335467	0.92	CTSB (0.71)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2425065	0.92	CTSB (0.71)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2431706	0.92	CTSB (0.71)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2432160	0.92	CTSB (0.70)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL12289267	0.92	CTSB (0.70)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2432144	0.92	CTSB (0.70)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2432156	0.92	CTSB (0.70)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL7921742	0.91	CTSB (0.58)	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
WO-2010033466-A1	MACROCYCLIC INHIBITORS OF HEPATITIS C PROTEASE	PHENOMIX CORPORATION (US)	2010-03-25	—	—	WO	disclosed