SCHEMBL30436895

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC

nearest known ligand 0.62

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	7/20	0.62

▸	GLP1R	P43220	5/20	0.58

▸	CCKBR	P32239	4/20	0.58

▸	KEAP1	Q14145	1/20	0.56

▸	NPY1R	P25929	1/20	0.55

▸	NPY2R	P49146	1/20	0.55

▸	NPY4R	P50391	1/20	0.55

▸	NPY5R	Q15761	1/20	0.55

▸	CALCR	P30988	4/20	0.54

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
SCHEMBL30436604	0.92	CXCR4 (0.63)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL29904962	0.87	CXCR4 (0.62)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL30712878	0.86	CXCR4 (0.65)	CXCR4GLP1RKEAP1NPY1RNPY2R
SCHEMBL8355463	0.86	CXCR4 (0.55)	CXCR4CCKBRNPY1RNPY2RNPY4R
SCHEMBL8355434	0.86	CXCR4 (0.55)	CXCR4CCKBRNPY1RNPY2RNPY4R
SCHEMBL30307620	0.85	GLP1R (0.62)	CXCR4GLP1RCCKBR
SCHEMBL31656488	0.85	NPY1R (0.66)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL29376307	0.85	CALCA (0.63)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL31182831	0.85	CXCR4 (0.68)	CXCR4GLP1RCCKBRKEAP1NPY1R
SCHEMBL29695486	0.85	CXCR4 (0.66)	CXCR4GLP1RCCKBRNPY1RNPY2R

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