SCHEMBL29625328

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.65

▸	CXCR4	P61073	5/20	0.65

▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	GLP1R	P43220	7/20	0.63

▸	CCKBR	P32239	2/20	0.63

▸	KEAP1	Q14145	1/20	0.60

▸	GCGR	P47871	3/20	0.60

▸	GIPR	P48546	1/20	0.60

▸	CALCR	P30988	4/20	0.60

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
SCHEMBL31182507	0.91	NPY1R (0.72)	C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL30721558	0.91	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30567718	0.90	KEAP1 (0.68)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30721573	0.90	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721579	0.90	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721620	0.90	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30432462	0.90	C5AR1 (0.68)	C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL30495687	0.89	NPY1R (0.68)	C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL29416134	0.89	C5AR1 (0.64)	C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL29749763	0.89	C5AR1 (0.68)	C5AR1CXCR4NPY1RNPY2RNPY4R

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