SCHEMBL14164206

CCC(C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CTSD	P07339	15/20	0.57

▸	CTSB	P07858	1/20	0.55

▸	REN	P00797	1/20	0.55

▸	OPRM1	P35372	2/20	0.54

▸	OPRD1	P41143	2/20	0.54

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
SCHEMBL31688319	0.91	OPRM1 (0.56)	CTSDOPRM1OPRD1
Gigiltvil SCHEMBL30741431	0.88	CTSD (0.46)	CTSDCTSBREN
SCHEMBL7844670	0.88	CTSD (0.61)	CTSDCTSBREN
SCHEMBL30617075	0.87	CTSB (0.59)	CTSBOPRM1OPRD1
SCHEMBL18888212	0.86	CTSD (0.62)	CTSDREN
SCHEMBL29370766	0.86	CTSD (0.57)	CTSDRENOPRM1OPRD1
SCHEMBL32677413	0.86	CTSD (0.42)	CTSDRENOPRM1OPRD1
SCHEMBL30536325	0.85	CTSB (0.62)	CTSDCTSBOPRM1OPRD1
SCHEMBL31462008	0.84	OPRM1 (0.52)	CTSDOPRM1OPRD1
SCHEMBL31140113	0.84	VIPR2 (0.53)	OPRM1OPRD1

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
US-20080145378-A1	Means and Methods for Breaking Noncovalent Binding Interactions Between Molecules	HET NEDERLANDS KANKER INSTITUUT (NL)	2008-06-19	—	—	US	disclosed