SCHEMBL30456690

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

nearest known ligand 0.68

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	3/20	0.68

▸	NPY4R	P50391	3/20	0.68

▸	NPY5R	Q15761	3/20	0.68

▸	NPY1R	P25929	2/20	0.68

▸	CXCR4	P61073	3/20	0.63

▸	GLP1R	P43220	7/20	0.61

▸	IL23R	Q5VWK5	1/20	0.61

▸	KEAP1	Q14145	1/20	0.60

▸	CALCA	P06881	2/20	0.60

▸	GCGR	P47871	1/20	0.60

▸	GIPR	P48546	1/20	0.60

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
SCHEMBL30709702	0.96	NPY1R (0.66)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29973066	0.96	NPY1R (0.66)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29993191	0.95	IL23R (0.66)	NPY2RNPY4RNPY5RNPY1RCXCR4
Melittin SCHEMBL29351537	0.94	CXCR4 (0.66)	NPY2RNPY4RNPY5RNPY1RCXCR4
Melittin SCHEMBL19458851	0.94	CXCR4 (0.66)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30456977	0.94	NPY1R (0.66)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29993338	0.93	NPY1R (0.67)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30978816	0.93	CXCR4 (0.70)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29989757	0.92	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30081077	0.92	NPY2R (0.67)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116178520-B	Cationic peptide and application thereof	浙江大学医学院附属第一医院	2024-04-19	—	—	CN	disclosed
CN-116178520-A	Cationic peptide and application thereof	浙江大学医学院附属第一医院	2023-05-30	—	—	CN	disclosed