SCHEMBL31158220

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

nearest known ligand 0.68

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	15/20	0.68

▸	NTSR2	O95665	1/20	0.59

▸	NTSR1	P30989	1/20	0.59

▸	SORT1	Q99523	1/20	0.59

▸	C5AR1	P21730	1/20	0.58

▸	NPY1R	P25929	1/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

▸	CAPN1	P07384	2/20	0.56

▸	CTSB	P07858	2/20	0.56

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
SCHEMBL30735734	0.92	CXCR4 (0.58)	CXCR4NTSR2NTSR1SORT1CAPN1
SCHEMBL29697181	0.90	CXCR4 (0.66)	CXCR4NTSR2NTSR1SORT1C5AR1
SCHEMBL30273393	0.90	CXCR4 (0.61)	CXCR4NTSR2NTSR1SORT1C5AR1
SCHEMBL29412263	0.90	CXCR4 (0.61)	CXCR4NTSR2NTSR1SORT1C5AR1
SCHEMBL34470399	0.89	NTSR2 (0.66)	CXCR4NTSR2NTSR1SORT1C5AR1
SCHEMBL30921660	0.89	DPP3 (0.64)	CXCR4NTSR2NTSR1SORT1C5AR1
SCHEMBL30646058	0.88	KISS1R (0.64)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31482959	0.88	CXCR4 (0.67)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31146340	0.88	CXCR4 (0.65)	CXCR4NTSR2NTSR1SORT1C5AR1
SCHEMBL5494984	0.88	CXCR4 (0.60)	CXCR4NTSR2NTSR1SORT1C5AR1

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-118772239-A	XOD inhibitory peptides and uses	成都大学	2024-10-15	—	—	CN	disclosed