SCHEMBL30436604

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

nearest known ligand 0.63

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	7/20	0.63

▸	GLP1R	P43220	8/20	0.57

▸	CCKBR	P32239	2/20	0.57

▸	CALCR	P30988	3/20	0.55

▸	NPY1R	P25929	1/20	0.55

▸	NPY2R	P49146	1/20	0.55

▸	NPY4R	P50391	1/20	0.55

▸	NPY5R	Q15761	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
SCHEMBL30436895	0.92	CXCR4 (0.62)	CXCR4GLP1RCCKBRCALCRNPY1R
SCHEMBL30262102	0.88	CXCR4 (0.64)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL31656488	0.87	NPY1R (0.66)	CXCR4GLP1RCCKBRCALCRNPY1R
SCHEMBL31182837	0.87	CXCR4 (0.67)	CXCR4GLP1RCCKBRCALCRNPY1R
SCHEMBL29904962	0.86	CXCR4 (0.62)	CXCR4GLP1RCCKBRCALCRNPY1R
SCHEMBL31000885	0.86	GLP1R (0.66)	CXCR4GLP1RCCKBRCALCRNPY1R
SCHEMBL30958882	0.86	CALCR (0.69)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30262217	0.85	CXCR4 (0.66)	CXCR4GLP1RNPY1RNPY2RNPY4R
SCHEMBL31013465	0.85	CXCR4 (0.56)	CXCR4
SCHEMBL30431356	0.85	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116103323-B	Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof	安徽中医药大学	2024-10-22	—	—	CN	disclosed
CN-116103323-A	Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof	安徽中医药大学	2023-05-12	—	—	CN	disclosed