SCHEMBL13685619

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)N2CCC[C@H]2C(=O)N1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TERF2	Q15554	8/20	0.40

▸	BIRC3	Q13489	3/20	0.38

▸	XIAP	P98170	2/20	0.38

▸	BIRC2	Q13490	2/20	0.38

▸	ELANE	P08246	2/20	0.37

▸	BACE1	P56817	2/20	0.36

▸	CCR5	P51681	1/20	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
SCHEMBL13685680	0.91	TERF2 (0.43)	TERF2BIRC3XIAPBIRC2
SCHEMBL13685696	0.90	ELANE (0.37)	TERF2ELANEBACE1
SCHEMBL12607839	0.90	TERF2 (0.36)	TERF2BIRC3XIAPBIRC2ELANE
SCHEMBL13686171	0.87	BACE1 (0.36)	TERF2ELANEBACE1
SCHEMBL13685129	0.87	BACE1 (0.36)	TERF2ELANEBACE1
SCHEMBL13685011	0.87	BACE1 (0.36)	TERF2ELANEBACE1
SCHEMBL8291442	0.86	CASP3 (0.36)	TERF2ELANEBACE1
SCHEMBL8289687	0.84	PSMB9 (0.45)	TERF2ELANE
SCHEMBL13685117	0.84	BACE1 (0.35)	ELANEBACE1
SCHEMBL8291188	0.84	BACE1 (0.35)	ELANEBACE1

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