SCHEMBL12831733

C=NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCC/C=C\[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)N(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	1/20	0.38

▸	PRSS1	P07477	1/20	0.38

▸	ITGB3	P05106	10/20	0.37

▸	ITGA2B	P08514	10/20	0.37

▸	CMA1	P23946	6/20	0.34

▸	CTRC	Q99895	2/20	0.34

▸	ACE	P12821	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
SCHEMBL6124837	0.91	F2 (0.40)	F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL12831724	0.91	F2 (0.39)	F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL13563948	0.85	ITGB3 (0.40)	F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL6385317	0.82	F2 (0.40)	F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL10166392	0.82	HDAC1 (0.35)	F2PRSS1ITGB3ITGA2B
SCHEMBL12831782	0.81	ITGB3 (0.40)	F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL12831634	0.80	F2 (0.39)	F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL13564319	0.80	F2 (0.46)	F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL13435877	0.79	F2 (0.43)	F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL15580091	0.79	ITGB3 (0.41)	F2PRSS1ITGB3ITGA2BCMA1

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-2011038293-A1	CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION	INTERMUNE, INC. (US)	2011-03-31	—	—	WO	disclosed