SCHEMBL30867019

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	4/20	0.61

▸	C5AR1	P21730	1/20	0.59

▸	OPRM1	P35372	8/20	0.58

▸	OPRK1	P41145	8/20	0.58

▸	NTSR2	O95665	1/20	0.57

▸	NTSR1	P30989	1/20	0.57

▸	SORT1	Q99523	1/20	0.57

▸	KISS1R	Q969F8	4/20	0.57

▸	IL23R	Q5VWK5	1/20	0.56

▸	MC4R	P32245	1/20	0.55

▸	MC5R	P33032	1/20	0.55

▸	MC3R	P41968	1/20	0.55

▸	MC1R	Q01726	1/20	0.55

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
SCHEMBL29697181	0.91	CXCR4 (0.66)	CXCR4C5AR1OPRM1OPRK1NTSR2
SCHEMBL31409438	0.91	CXCR4 (0.63)	CXCR4KISS1RIL23R
SCHEMBL29350708	0.90	DPP3 (0.64)	CXCR4C5AR1NTSR2NTSR1SORT1
SCHEMBL29973459	0.90	TACR1 (0.63)	CXCR4C5AR1OPRM1OPRK1NTSR2
SCHEMBL31593268	0.90	CXCR4 (0.58)	CXCR4C5AR1OPRM1OPRK1NTSR2
SCHEMBL31409436	0.90	CXCR4 (0.63)	CXCR4KISS1RIL23R
SCHEMBL30867029	0.90	CXCR4 (0.63)	CXCR4C5AR1IL23RMC4RMC5R
SCHEMBL29412263	0.89	CXCR4 (0.61)	CXCR4C5AR1OPRM1OPRK1NTSR2
SCHEMBL30945042	0.89	CXCR4 (0.66)	CXCR4C5AR1OPRM1OPRK1NTSR2
SCHEMBL34470399	0.89	NTSR2 (0.66)	CXCR4C5AR1OPRM1OPRK1NTSR2

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-117964703-A	Antibacterial peptide, derivative and application thereof	福州大学	2024-05-03	—	—	CN	disclosed