SCHEMBL13684913

CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(O)[C@@H]1CCCCC=CCCCC[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 0.39

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	3/20	0.39

▸	ELANE	P08246	2/20	0.32

▸	REN	P00797	1/20	0.31

▸	SCN9A	Q15858	2/20	0.31

▸	CCR5	P51681	1/20	0.30

▸	ATM	Q13315	1/20	0.30

▸	MEN1	O00255	1/20	0.30

▸	KMT2A	Q03164	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
SCHEMBL13685083	0.96	BACE1 (0.42)	BACE1ELANERENSCN9AATM
SCHEMBL13685009	0.91	BACE1 (0.34)	BACE1ELANECCR5
SCHEMBL13685169	0.91	BACE1 (0.34)	BACE1ELANECCR5
SCHEMBL16349773	0.88	BACE1 (0.36)	BACE1ELANERENATMMEN1
SCHEMBL13685020	0.88	BACE1 (0.36)	BACE1ELANERENATMMEN1
SCHEMBL8035823	0.88	BACE1 (0.36)	BACE1ELANERENATMMEN1
SCHEMBL16349593	0.88	BACE1 (0.36)	BACE1ELANERENATMMEN1
SCHEMBL8290555	0.88	BACE1 (0.36)	BACE1ELANERENATMMEN1
SCHEMBL13685129	0.87	BACE1 (0.36)	BACE1ELANERENSCN9A
SCHEMBL13685011	0.87	BACE1 (0.36)	BACE1ELANERENSCN9A

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