SCHEMBL30320570

C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.49

▸	NPY4R	P50391	7/20	0.49

▸	NPY5R	Q15761	7/20	0.49

▸	NPY1R	P25929	5/20	0.49

▸	CXCR4	P61073	1/20	0.49

▸	CALCR	P30988	9/20	0.48

▸	RAMP3	O60896	6/20	0.48

▸	OPRM1	P35372	2/20	0.48

▸	OPRD1	P41143	2/20	0.48

▸	OPRK1	P41145	2/20	0.48

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
SCHEMBL30432133	0.88	RAMP3 (0.56)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30436223	0.85	RAMP3 (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30495649	0.85	NPY2R (0.50)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182632	0.85	CALCR (0.56)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30495754	0.85	NPY2R (0.49)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30495688	0.85	NPY2R (0.50)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30428990	0.85	RAMP3 (0.61)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30495725	0.84	RAMP3 (0.56)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30433577	0.84	NPY2R (0.53)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30495774	0.83	RAMP3 (0.54)	NPY2RNPY4RNPY5RNPY1RCXCR4

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