SCHEMBL13189751

CC(C)[C@@H](NC(=O)[C@@H]([C@@H](C)O)N1CC[C@@H](NC(=O)[C@H](N)CCCNC(=N)N)C1=O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]1CC(C)N([C@H](C)C(N)=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	4/20	0.37

▸	CTSK	P43235	1/20	0.33

▸	F11	P03951	4/20	0.33

▸	OPRM1	P35372	1/20	0.33

▸	CALCRL	Q16602	1/20	0.32

▸	NPY4R	P50391	3/20	0.32

▸	NPY1R	P25929	2/20	0.32

▸	NPY2R	P49146	2/20	0.32

▸	NPY5R	Q15761	2/20	0.32

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
SCHEMBL13187702	0.91	KEAP1 (0.36)	KEAP1F11OPRM1NPY4RNPY1R
SCHEMBL13188101	0.91	KEAP1 (0.36)	KEAP1F11OPRM1NPY4RNPY1R
SCHEMBL13188096	0.86	NPY4R (0.48)	OPRM1NPY4RNPY1RNPY2RNPY5R
SCHEMBL2632420	0.86	KEAP1 (0.42)	KEAP1F11NPY4RNPY1RNPY2R
SCHEMBL13187711	0.83	NPY4R (0.44)	KEAP1OPRM1NPY4RNPY1RNPY2R
SCHEMBL13187509	0.80	KEAP1 (0.40)	KEAP1OPRM1NPY4RNPY1RNPY2R
SCHEMBL13188113	0.80	KEAP1 (0.41)	KEAP1OPRM1NPY4RNPY1RNPY2R
SCHEMBL2632393	0.79	NPY4R (0.52)	KEAP1OPRM1CALCRLNPY4RNPY1R
SCHEMBL13187506	0.77	NPY4R (0.47)	OPRM1NPY4RNPY1RNPY2RNPY5R
SCHEMBL13187701	0.77	NPY4R (0.47)	OPRM1NPY4RNPY1RNPY2RNPY5R

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-2010106441-A2	PEPTIDOMIMETICS FOR MODULATING INTERLEUKIN-1 RECEPTOR	CENTRE HOSPITALIER UNIVERSITAIRE SAINTE-JUSTINE (CA)	2010-09-23	—	—	WO	disclosed