SCHEMBL31622299

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

nearest known ligand 0.66

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	13/20	0.66

▸	C5AR1	P21730	1/20	0.62

▸	NPY1R	P25929	1/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

▸	IL23R	Q5VWK5	1/20	0.55

▸	MC4R	P32245	2/20	0.55

▸	MC5R	P33032	2/20	0.55

▸	MC3R	P41968	2/20	0.55

▸	MC1R	Q01726	2/20	0.55

▸	KEAP1	Q14145	1/20	0.55

▸	NTSR2	O95665	1/20	0.55

▸	NTSR1	P30989	1/20	0.55

▸	SORT1	Q99523	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
SCHEMBL31622295	0.92	CXCR4 (0.64)	CXCR4C5AR1
SCHEMBL31622296	0.92	C5AR1 (0.71)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL29430205	0.90	NPY1R (0.65)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31622297	0.89	KEAP1 (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31622298	0.88	C5AR1 (0.68)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30527936	0.88	CXCR4 (0.65)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL29416039	0.88	CXCR4 (0.65)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31191176	0.88	C5AR1 (0.64)	CXCR4C5AR1IL23RMC4RMC5R
SCHEMBL30816280	0.88	NPY1R (0.65)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30423449	0.87	NPY2R (0.69)	CXCR4C5AR1NPY1RNPY2RNPY4R

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-120157742-A	Double-anchored enzyme response polypeptide and preparation method and application thereof	华南理工大学	2025-06-17	—	—	CN	disclosed