SCHEMBL13685709

C=CCNC(=O)C(=O)[C@@H]1CCCCNC(=O)CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CCR2	P41597	1/20	0.33

▸	PLG	P00747	1/20	0.32

▸	SIRT2	Q8IXJ6	2/20	0.31

▸	SIRT1	Q96EB6	2/20	0.31

▸	SIRT3	Q9NTG7	2/20	0.31

▸	REN	P00797	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
SCHEMBL8050876	0.92	BACE1 (0.31)	PLG
SCHEMBL8290280	0.92	BACE1 (0.31)	PLG
SCHEMBL12607874	0.90	ADAM17 (0.37)	CCR2
SCHEMBL12606705	0.90	PLG (0.32)	PLG
SCHEMBL8289637	0.85	CTSD (0.35)	—
SCHEMBL13685625	0.85	CTSD (0.35)	—
SCHEMBL13685100	0.84	F2 (0.33)	PLG
SCHEMBL8034474	0.82	F2 (0.32)	PLG
SCHEMBL8289304	0.82	F2 (0.32)	PLG
SCHEMBL12856082	0.82	CTSD (0.33)	PLG

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