SCHEMBL30576993

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

nearest known ligand 0.62

Predicted protein targets (top 11)

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

▸	NPY1R	P25929	1/20	0.61

▸	NPY2R	P49146	1/20	0.61

▸	NPY4R	P50391	1/20	0.61

▸	NPY5R	Q15761	1/20	0.61

▸	CALCR	P30988	3/20	0.58

▸	KEAP1	Q14145	1/20	0.57

▸	GLP1R	P43220	8/20	0.57

▸	GIPR	P48546	6/20	0.57

▸	PTH1R	Q03431	1/20	0.57

▸	GCGR	P47871	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
SCHEMBL30607355	0.91	CALCR (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31020887	0.89	CXCR4 (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30431894	0.89	NPY1R (0.62)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL31182499	0.89	CXCR4 (0.60)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29611486	0.88	KEAP1 (0.56)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29440518	0.88	KEAP1 (0.56)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182901	0.88	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182837	0.88	CXCR4 (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658222	0.88	NPY1R (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182631	0.88	CXCR4 (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R

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-116621961-A	Gene ZmAPC4 for regulating starch content in corn kernel, expression product, SNP marker, excellent haplotype and application	河南农业大学	2023-08-22	—	—	CN	disclosed