SCHEMBL30320554

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

nearest known ligand 0.51

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	18/20	0.51

▸	CTSD	P07339	4/20	0.47

▸	BACE2	Q9Y5Z0	3/20	0.46

▸	GLP1R	P43220	2/20	0.45

▸	SCTR	P47872	1/20	0.45

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
SCHEMBL31410826	0.90	GLP1R (0.47)	BACE1BACE2GLP1RSCTR
SCHEMBL31307258	0.90	GLP1R (0.51)	BACE1BACE2GLP1R
SCHEMBL31410884	0.89	BACE1 (0.48)	BACE1CTSDBACE2GLP1RSCTR
SCHEMBL31307253	0.88	CRHR1 (0.49)	BACE1GLP1R
SCHEMBL30720017	0.88	BACE1 (0.46)	BACE1CTSDBACE2GLP1RSCTR
SCHEMBL30436860	0.88	BACE1 (0.40)	BACE1CTSDGLP1RSCTR
SCHEMBL30123019	0.87	MAGI3 (0.44)	BACE1CTSDGLP1RSCTR
SCHEMBL31410841	0.87	BACE1 (0.45)	BACE1CTSDBACE2GLP1RSCTR
SCHEMBL29808247	0.86	BACE1 (0.48)	BACE1CTSDBACE2
SCHEMBL29805325	0.86	BACE1 (0.44)	BACE1CTSDBACE2GLP1RSCTR

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-111269289-B	Tumor cell affinity peptide separated from venenum bufonis and screening method thereof	南京中医药大学	2023-04-18	—	—	CN	disclosed