SCHEMBL8289402

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

nearest known ligand 0.35

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	3/20	0.35

▸	ELANE	P08246	3/20	0.33

▸	REN	P00797	2/20	0.30

▸	ALDH1A1	P00352	1/20	0.30

▸	CYP3A4	P08684	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
SCHEMBL13685117	1.00	BACE1 (0.35)	BACE1ELANERENALDH1A1CYP3A4
SCHEMBL12607836	1.00	BACE1 (0.35)	BACE1ELANERENALDH1A1CYP3A4
SCHEMBL8291188	1.00	BACE1 (0.35)	BACE1ELANERENALDH1A1CYP3A4
SCHEMBL13685750	0.94	BACE1 (0.32)	BACE1ELANE
SCHEMBL12606616	0.90	BACE1 (0.40)	BACE1ELANEREN
SCHEMBL8291409	0.90	BACE1 (0.40)	BACE1ELANEREN
SCHEMBL13685190	0.90	BACE1 (0.40)	BACE1ELANEREN
SCHEMBL13684966	0.89	CYP3A4 (0.36)	ALDH1A1CYP3A4
SCHEMBL13685116	0.89	CYP3A4 (0.36)	ALDH1A1CYP3A4
SCHEMBL13685079	0.89	CYP3A4 (0.36)	ALDH1A1CYP3A4

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 3 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
WO-2005030796-A1	MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE	SCHERING CORPORATION (US)	2005-04-07	—	—	WO	disclosed