SCHEMBL31665911

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

nearest known ligand 0.61

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	9/20	0.61

▸	IL23R	Q5VWK5	1/20	0.58

▸	C5AR1	P21730	1/20	0.57

▸	KISS1R	Q969F8	1/20	0.56

▸	OPRM1	P35372	4/20	0.54

▸	OPRK1	P41145	4/20	0.54

▸	TACR1	P25103	1/20	0.54

▸	MC4R	P32245	2/20	0.54

▸	MC5R	P33032	2/20	0.54

▸	MC3R	P41968	2/20	0.54

▸	MC1R	Q01726	2/20	0.54

▸	NTSR2	O95665	1/20	0.53

▸	NTSR1	P30989	1/20	0.53

▸	SORT1	Q99523	1/20	0.53

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
SCHEMBL31452905	0.91	CXCR4 (0.62)	CXCR4IL23RC5AR1KISS1ROPRM1
SCHEMBL31650786	0.90	MC4R (0.64)	CXCR4IL23RC5AR1KISS1ROPRM1
SCHEMBL29476509	0.90	KISS1R (0.55)	CXCR4IL23RC5AR1KISS1RNTSR2
SCHEMBL29476405	0.90	KISS1R (0.55)	CXCR4IL23RC5AR1KISS1RNTSR2
SCHEMBL29697181	0.89	CXCR4 (0.66)	CXCR4C5AR1KISS1ROPRM1OPRK1
SCHEMBL31378995	0.88	C5AR1 (0.63)	CXCR4IL23RC5AR1KISS1RTACR1
SCHEMBL31593371	0.88	CXCR4 (0.60)	CXCR4IL23RC5AR1KISS1RTACR1
SCHEMBL31187042	0.88	CXCR4 (0.63)	CXCR4IL23RC5AR1KISS1RTACR1
SCHEMBL29546449	0.88	C5AR1 (0.56)	CXCR4IL23RC5AR1KISS1ROPRM1
SCHEMBL29853326	0.87	C5AR1 (0.63)	CXCR4IL23RC5AR1KISS1RTACR1

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-120365374-A	Construction and activity evaluation of anti-cancer peptide inhibitor GLP3 based on Grb2 preferential binding motif	滨州医学院	2025-07-25	—	—	CN	disclosed