SCHEMBL30432210

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)CC)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.66

▸	CXCR4	P61073	8/20	0.62

▸	NPY1R	P25929	1/20	0.61

▸	NPY2R	P49146	1/20	0.61

▸	NPY4R	P50391	1/20	0.61

▸	NPY5R	Q15761	1/20	0.61

▸	PTH1R	Q03431	5/20	0.59

▸	CALCA	P06881	1/20	0.58

▸	KEAP1	Q14145	1/20	0.58

▸	GLP1R	P43220	1/20	0.58

▸	MC4R	P32245	1/20	0.57

▸	MC5R	P33032	1/20	0.57

▸	MC3R	P41968	1/20	0.57

▸	MC1R	Q01726	1/20	0.57

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
SCHEMBL30867029	0.91	CXCR4 (0.63)	C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL31622298	0.91	C5AR1 (0.68)	C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL30345070	0.90	C5AR1 (0.61)	C5AR1CXCR4PTH1RCALCAGLP1R
SCHEMBL30456690	0.90	NPY2R (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30607284	0.90	NPY2R (0.64)	C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL30439395	0.90	OPRD1 (0.67)	C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL30575503	0.90	C5AR1 (0.59)	C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL30658215	0.89	NPY1R (0.72)	C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL31462084	0.89	C5AR1 (0.59)	C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL31182745	0.89	NPY1R (0.71)	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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-111253474-B	Antibacterial peptide RG-27 and application thereof	应连心	2023-07-07	—	—	CN	claimed
CN-111253474-B	Antibacterial peptide RG-27 and application thereof	应连心	2023-07-07	—	—	CN	disclosed
CN-111253474-B	Antibacterial peptide RG-27 and application thereof	应连心	2023-07-07	—	—	CN	disclosed