SCHEMBL2738422

CCC[C@H](NC(=O)[C@@H]1[C@H]2C3C=CC3[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1

nearest known ligand 0.85

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	13/20	0.81

▸	CTSL	P07711	8/20	0.81

▸	CTSK	P43235	6/20	0.81

▸	CTSS	P25774	3/20	0.81

▸	ELANE	P08246	2/20	0.81

▸	CTSV	O60911	1/20	0.81

▸	PLG	P00747	1/20	0.81

▸	CMA1	P23946	1/20	0.81

▸	CELA1	Q9UNI1	1/20	0.81

▸	ABCG2	Q9UNQ0	1/20	0.72

▸	CRBN	Q96SW2	1/20	0.49

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
SCHEMBL8369687	1.00	CTSB (0.81)	CTSBCTSLCTSKCTSSELANE
SCHEMBL14469214	1.00	CTSB (0.81)	CTSBCTSLCTSKCTSSELANE
SCHEMBL14450036	0.92	CTSB (0.78)	CTSBCTSLCTSKCTSSELANE
SCHEMBL8369641	0.92	CTSB (0.78)	CTSBCTSLCTSKCTSSELANE
SCHEMBL11936495	0.92	CTSB (0.90)	CTSBCTSLCTSKCTSSELANE
SCHEMBL15029257	0.91	CTSB (0.91)	CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL13201901	0.89	CTSB (1.00)	CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL13201933	0.89	CTSB (1.00)	CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL184177	0.89	CTSB (1.00)	CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL22171584	0.89	CTSB (1.00)	CTSBCTSLCTSKCTSSELANE

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-1441720-B1	INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM	VERTEX PHARMA (US)	2012-01-04	—	—	EP	disclosed