SCHEMBL29973246

CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	9/20	0.44

▸	CALCR	P30988	3/20	0.44

▸	CRHR1	P34998	1/20	0.43

▸	CRHR2	Q13324	1/20	0.43

▸	BACE2	Q9Y5Z0	2/20	0.42

▸	CTSD	P07339	1/20	0.42

▸	PTH1R	Q03431	1/20	0.42

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
SCHEMBL29798083	0.88	BACE1 (0.55)	BACE1BACE2CTSD
SCHEMBL29390112	0.87	VIPR2 (0.51)	PTH1R
SCHEMBL29489934	0.87	VIPR2 (0.51)	PTH1R
SCHEMBL31632214	0.86	FNTA (0.48)	BACE1BACE2
SCHEMBL29625334	0.85	CCNA2 (0.43)	BACE1BACE2CTSD
SCHEMBL29797970	0.85	BACE1 (0.53)	BACE1CTSD
SCHEMBL30209659	0.84	BACE1 (0.43)	BACE1CTSD
SCHEMBL29940718	0.84	BACE1 (0.46)	BACE1BACE2CTSD
SCHEMBL30747550	0.83	OPRK1 (0.39)	BACE1BACE2CTSD
SCHEMBL30761043	0.83	NPY4R (0.42)	—

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