SCHEMBL30864786

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

nearest known ligand 0.59

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.59

▸	KEAP1	Q14145	1/20	0.56

▸	CXCR4	P61073	6/20	0.55

▸	IL23R	Q5VWK5	1/20	0.54

▸	NPY1R	P25929	1/20	0.53

▸	NPY2R	P49146	1/20	0.53

▸	NPY4R	P50391	1/20	0.53

▸	NPY5R	Q15761	1/20	0.53

▸	EED	O75530	1/20	0.53

▸	KISS1R	Q969F8	1/20	0.53

▸	PTH1R	Q03431	4/20	0.53

▸	NTSR2	O95665	1/20	0.52

▸	NTSR1	P30989	1/20	0.52

▸	SORT1	Q99523	1/20	0.52

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
SCHEMBL30798168	0.93	KISS1R (0.55)	C5AR1KEAP1CXCR4IL23RKISS1R
SCHEMBL30797894	0.91	KISS1R (0.56)	C5AR1CXCR4IL23RKISS1RNTSR2
SCHEMBL30797971	0.90	KISS1R (0.55)	C5AR1KEAP1CXCR4IL23RNPY1R
SCHEMBL29511552	0.90	CXCR4 (0.57)	C5AR1CXCR4IL23RKISS1RNTSR2
SCHEMBL29444962	0.89	KEAP1 (0.69)	KEAP1CXCR4IL23RNPY1RNPY2R
SCHEMBL38662279	0.89	KISS1R (0.58)	C5AR1CXCR4KISS1RNTSR2NTSR1
SCHEMBL29443798	0.89	CXCR4 (0.60)	C5AR1KEAP1CXCR4KISS1RNTSR2
SCHEMBL30798075	0.88	KISS1R (0.56)	C5AR1CXCR4IL23RKISS1RNTSR2
SCHEMBL29493518	0.87	PTH1R (0.56)	KEAP1IL23RNPY2RNPY4RKISS1R
SCHEMBL30629650	0.87	PTH1R (0.56)	KEAP1IL23RNPY2RKISS1RPTH1R

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-117903253-A	Antibacterial peptide RV15 and application thereof	浙江大学	2024-04-19	—	—	CN	disclosed