SCHEMBL13685780

CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@@H]1CCCCCCCOC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	15/20	0.35

▸	BACE1	P56817	2/20	0.33

▸	ELANE	P08246	3/20	0.33

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
SCHEMBL13685772	1.00	REN (0.35)	RENBACE1ELANE
SCHEMBL13686171	0.94	BACE1 (0.36)	RENBACE1ELANE
SCHEMBL13685129	0.94	BACE1 (0.36)	RENBACE1ELANE
SCHEMBL13685011	0.94	BACE1 (0.36)	RENBACE1ELANE
SCHEMBL13685169	0.90	BACE1 (0.34)	BACE1ELANE
SCHEMBL13685009	0.90	BACE1 (0.34)	BACE1ELANE
SCHEMBL13685736	0.90	ELANE (0.33)	RENBACE1ELANE
SCHEMBL13685691	0.90	ELANE (0.33)	RENBACE1ELANE
SCHEMBL13685731	0.90	ELANE (0.33)	RENBACE1ELANE
SCHEMBL13685757	0.90	ELANE (0.33)	RENBACE1ELANE

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7592419-B2	Macrocyclic inhibitors of hepatitis C virus NS3-serine protease	SCHERING CORPORATION (US)	2009-09-22	—	—	US	disclosed
US-7592419-B2	Macrocyclic inhibitors of hepatitis C virus NS3-serine protease	SCHERING CORPORATION (US)	2009-09-22	—	—	US	disclosed