SCHEMBL8289304

CC(C)(C)OC(=O)N[C@H]1CCCCCCCC[C@@H](C(=O)C(=O)NCC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	1/20	0.32

▸	F10	P00742	1/20	0.32

▸	PRSS1	P07477	1/20	0.32

▸	BACE1	P56817	3/20	0.32

▸	PLG	P00747	1/20	0.32

▸	GAA	P10253	1/20	0.32

▸	DRD2	P14416	1/20	0.31

▸	KMT2A	Q03164	1/20	0.30

▸	PBK	Q96KB5	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
SCHEMBL8034474	1.00	F2 (0.32)	F2F10PRSS1BACE1PLG
SCHEMBL13685100	0.92	F2 (0.33)	F2F10PRSS1BACE1PLG
SCHEMBL12856082	0.91	CTSD (0.33)	F2F10PRSS1BACE1PLG
SCHEMBL8290545	0.91	CTSD (0.33)	F2F10PRSS1BACE1PLG
SCHEMBL8050876	0.89	BACE1 (0.31)	F2F10PRSS1BACE1PLG
SCHEMBL8290280	0.89	BACE1 (0.31)	F2F10PRSS1BACE1PLG
SCHEMBL8290536	0.89	GAA (0.33)	F2F10PRSS1BACE1PLG
SCHEMBL16349734	0.88	GAA (0.35)	F2F10PRSS1BACE1PLG
SCHEMBL16315715	0.88	GAA (0.35)	F2F10PRSS1BACE1PLG
SCHEMBL16349581	0.88	GAA (0.35)	F2F10PRSS1BACE1PLG

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2005030796-A1	MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE	SCHERING CORPORATION (US)	2005-04-07	—	—	WO	disclosed