SCHEMBL30575223

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.64

▸	IL23R	Q5VWK5	1/20	0.61

▸	CXCR4	P61073	11/20	0.61

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

▸	EED	O75530	1/20	0.56

▸	MC4R	P32245	2/20	0.55

▸	MC5R	P33032	2/20	0.55

▸	MC3R	P41968	2/20	0.55

▸	MC1R	Q01726	2/20	0.55

▸	CTNNB1	P35222	1/20	0.54

▸	TACR1	P25103	1/20	0.54

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
SCHEMBL31232547	0.98	C5AR1 (0.62)	C5AR1IL23RCXCR4NPY1RNPY2R
SCHEMBL31668913	0.94	C5AR1 (0.61)	C5AR1IL23RCXCR4NPY1RNPY2R
SCHEMBL30350095	0.89	CXCR4 (0.61)	C5AR1IL23RCXCR4NPY1RNPY2R
SCHEMBL31378995	0.89	C5AR1 (0.63)	C5AR1IL23RCXCR4MC4RMC5R
SCHEMBL30512621	0.88	CXCR4 (0.64)	C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL30512719	0.88	CXCR4 (0.62)	C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL31146340	0.88	CXCR4 (0.65)	C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL31593275	0.87	C5AR1 (0.67)	C5AR1IL23RCXCR4NPY1RNPY2R
SCHEMBL31593262	0.87	CXCR4 (0.62)	C5AR1IL23RCXCR4NPY1RNPY2R
SCHEMBL31146211	0.87	CXCR4 (0.62)	C5AR1IL23RCXCR4NPY1RNPY2R

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-116813715-A	Isolated endogenous antimicrobial polypeptide and application thereof	南京杰肽生物科技有限公司	2023-09-29	—	—	CN	claimed
CN-116813715-A	Isolated endogenous antimicrobial polypeptide and application thereof	南京杰肽生物科技有限公司	2023-09-29	—	—	CN	disclosed