SCHEMBL29625327

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)O

nearest known ligand 0.73

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	1/20	0.65

▸	GLP1R	P43220	9/20	0.64

▸	GCGR	P47871	6/20	0.64

▸	KEAP1	Q14145	2/20	0.62

▸	CALCR	P30988	3/20	0.61

▸	NPY1R	P25929	1/20	0.60

▸	NPY2R	P49146	1/20	0.60

▸	NPY4R	P50391	1/20	0.60

▸	NPY5R	Q15761	1/20	0.60

▸	CTSL	P07711	3/20	0.60

▸	CTSS	P25774	3/20	0.60

▸	CTSK	P43235	3/20	0.60

▸	CTSH	P09668	1/20	0.60

▸	CCKBR	P32239	2/20	0.59

▸	GIPR	P48546	3/20	0.59

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
SCHEMBL31182548	0.91	GLP1R (0.70)	CXCR4GLP1RGCGRKEAP1CALCR
SCHEMBL31457380	0.90	CXCR4 (0.70)	CXCR4GLP1RGCGRKEAP1CALCR
SCHEMBL30658250	0.89	GLP1R (0.69)	GLP1RGCGRKEAP1NPY1RNPY2R
SCHEMBL31457381	0.89	GLP1R (0.72)	CXCR4GLP1RGCGRKEAP1CALCR
SCHEMBL31182636	0.89	GLP1R (0.68)	CXCR4GLP1RGCGRKEAP1CALCR
SCHEMBL31182510	0.89	C5AR1 (0.65)	CXCR4GLP1RGCGRKEAP1NPY1R
SCHEMBL31000406	0.89	CXCR4 (0.70)	CXCR4GLP1RGCGRKEAP1NPY1R
SCHEMBL30658282	0.89	KEAP1 (0.73)	GLP1RGCGRKEAP1CALCRNPY1R
SCHEMBL31000409	0.88	CXCR4 (0.71)	CXCR4GLP1RGCGRKEAP1NPY1R
SCHEMBL30658352	0.88	CXCR4 (0.71)	CXCR4GLP1RKEAP1CALCRNPY1R

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-114344451-B	Application of Reg4 antibacterial peptide in treatment of pseudomonas aeruginosa infectious pneumonia	上海市肺科医院	2023-09-26	—	—	CN	disclosed
CN-114409758-A	Application of Reg4 antibacterial peptide in treatment of pathogenic escherichia coli infection	上海市儿科医学研究所	2022-04-29	—	—	CN	disclosed