SCHEMBL30320550

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	CXCR4	P61073	4/20	0.63

▸	CALCA	P06881	2/20	0.62

▸	GLP1R	P43220	10/20	0.58

▸	GIPR	P48546	6/20	0.58

▸	CCKBR	P32239	2/20	0.58

▸	KISS1R	Q969F8	2/20	0.57

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
SCHEMBL30658391	0.91	NPY2R (0.70)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29660518	0.91	KISS1R (0.62)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658347	0.91	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31073551	0.89	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RCALCA
SCHEMBL30712903	0.88	CXCR4 (0.65)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29695518	0.88	CXCR4 (0.64)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30435876	0.88	NPY1R (0.66)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30495726	0.87	NPY1R (0.63)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30423138	0.87	CXCR4 (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29855927	0.87	CXCR4 (0.66)	NPY1RNPY2RNPY4RNPY5RCXCR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-120019812-A	Artificial toad venom composition and application thereof	南京中医药大学	2025-05-20	—	—	CN	claimed
CN-120019812-A	Artificial toad venom composition and application thereof	南京中医药大学	2025-05-20	—	—	CN	disclosed
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