SCHEMBL29972781

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CTSD	P07339	13/20	0.48

▸	REN	P00797	1/20	0.44

▸	OPRM1	P35372	1/20	0.41

▸	OPRD1	P41143	1/20	0.41

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
SCHEMBL29385432	0.99	CTSD (0.47)	CTSDRENOPRM1OPRD1
SCHEMBL30259423	0.93	CTSD (0.50)	CTSDRENOPRM1OPRD1
SCHEMBL30259430	0.89	BACE1 (0.47)	CTSDREN
SCHEMBL30031957	0.89	BACE1 (0.47)	CTSDREN
SCHEMBL30561566	0.88	BACE1 (0.47)	CTSDREN
SCHEMBL31461990	0.88	CTSD (0.43)	CTSDOPRM1OPRD1
SCHEMBL31462029	0.87	CTSD (0.42)	CTSDOPRM1OPRD1
SCHEMBL29608851	0.86	CTSD (0.46)	CTSDRENOPRM1OPRD1
SCHEMBL31427152	0.84	CTSD (0.41)	CTSDOPRM1OPRD1
SCHEMBL30259455	0.83	FURIN (0.46)	CTSDREN

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
EP-4067370-A1	HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS	Yu, Chongxi (US)	2022-10-05	—	—	EP	disclosed