SCHEMBL18018720

CC(C)n1cc(C(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3CCCN3C2=O)nn1

nearest known ligand 0.52

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	1/20	0.39

▸	CTSS	P25774	1/20	0.38

▸	XIAP	P98170	2/20	0.35

▸	BIRC3	Q13489	2/20	0.35

▸	BIRC2	Q13490	2/20	0.35

▸	ADRB3	P13945	1/20	0.32

▸	ADRA2B	P18089	1/20	0.32

▸	ADRA2C	P18825	1/20	0.32

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
SCHEMBL19235753	0.85	CTSB (0.40)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL12629376	0.85	CTSB (0.42)	CTSBCTSSXIAPBIRC3BIRC2
SCHEMBL12820534	0.84	CTSB (0.41)	CTSBCTSSXIAPBIRC3BIRC2
SCHEMBL13896373	0.84	CTSB (0.41)	CTSBCTSSXIAPBIRC3BIRC2
SCHEMBL16242467	0.84	CTSB (0.41)	CTSBCTSSXIAPBIRC3BIRC2
SCHEMBL16242466	0.84	CTSB (0.41)	CTSBCTSSXIAPBIRC3BIRC2
SCHEMBL16242468	0.84	CTSB (0.41)	CTSBCTSSXIAPBIRC3BIRC2
SCHEMBL8245373	0.83	CTSB (0.40)	CTSBCTSSXIAPBIRC3BIRC2
SCHEMBL18018746	0.83	CTSB (0.39)	CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL12820550	0.82	CTSB (0.40)	CTSBCTSSXIAPBIRC3BIRC2

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-2016127859-A1	COMPOUNDS AS HEPATITIS C INHIBITORS AND USES THEREOF IN MEDICINE	SUNSHINE LAKE PHARMA CO., LTD. (CN)	2016-08-18	—	—	WO	disclosed