SCHEMBL30436860

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

nearest known ligand 0.41

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	13/20	0.40

▸	GLP1R	P43220	1/20	0.40

▸	SCTR	P47872	1/20	0.40

▸	KISS1R	Q969F8	3/20	0.39

▸	CTSD	P07339	2/20	0.39

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
SCHEMBL30320554	0.88	BACE1 (0.51)	BACE1GLP1RSCTRCTSD
SCHEMBL29853431	0.88	BACE1 (0.41)	BACE1CTSD
SCHEMBL30738394	0.88	BACE1 (0.41)	BACE1CTSD
SCHEMBL29853203	0.85	FNTA (0.38)	BACE1CTSD
SCHEMBL31448410	0.85	FNTA (0.38)	BACE1CTSD
SCHEMBL30312024	0.84	GLP1R (0.41)	BACE1GLP1RSCTRCTSD
SCHEMBL7163139	0.84	BACE1 (0.42)	BACE1CTSD
SCHEMBL7163147	0.84	BACE1 (0.42)	BACE1CTSD
SCHEMBL4935995	0.84	OPRM1 (0.42)	BACE1CTSD
SCHEMBL5526723	0.84	OPRM1 (0.42)	BACE1CTSD

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
CN-113278078-B	Polypeptide sequence and application thereof	西南医科大学	2023-03-21	—	—	CN	disclosed