SCHEMBL29614997

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)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](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	5/20	0.62

▸	CCKBR	P32239	2/20	0.62

▸	C5AR1	P21730	2/20	0.62

▸	NMBR	P28336	2/20	0.61

▸	GRPR	P30550	2/20	0.61

▸	CALCR	P30988	4/20	0.60

▸	KEAP1	Q14145	1/20	0.60

▸	F2	P00734	4/20	0.60

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

▸	GCGR	P47871	1/20	0.58

▸	GIPR	P48546	1/20	0.58

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
SCHEMBL29615082	0.91	CALCR (0.61)	GLP1RCCKBRCALCRF2NPY1R
SCHEMBL31182577	0.91	GLP1R (0.71)	GLP1RCCKBRNMBRGRPRCALCR
SCHEMBL29588160	0.90	CALCR (0.66)	GLP1RCCKBRNMBRGRPRCALCR
SCHEMBL30432050	0.89	KEAP1 (0.68)	GLP1RCCKBRC5AR1KEAP1F2
SCHEMBL29588702	0.89	CALCR (0.64)	GLP1RCCKBRNMBRGRPRCALCR
SCHEMBL30495677	0.89	NPY1R (0.72)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30355009	0.89	C5AR1 (0.64)	C5AR1NMBRGRPRF2
SCHEMBL31603934	0.89	NMBR (0.63)	GLP1RCCKBRC5AR1NMBRGRPR
SCHEMBL30658362	0.89	NMBR (0.65)	GLP1RCCKBRC5AR1NMBRGRPR
SCHEMBL31295729	0.88	NMBR (0.63)	GLP1RCCKBRC5AR1NMBRGRPR

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-114395026-A	Broad-spectrum antibacterial peptide constructed based on rational design strategy	福州大学	2022-04-26	—	—	CN	claimed
CN-114395026-A	Broad-spectrum antibacterial peptide constructed based on rational design strategy	福州大学	2022-04-26	—	—	CN	disclosed