SCHEMBL30835683

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.62

▸	NPY4R	P50391	7/20	0.62

▸	NPY5R	Q15761	7/20	0.62

▸	NPY1R	P25929	5/20	0.62

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	NTSR2	O95665	2/20	0.59

▸	NTSR1	P30989	2/20	0.59

▸	SORT1	Q99523	2/20	0.59

▸	EPHA2	P29317	2/20	0.59

▸	NMUR2	Q9GZQ4	2/20	0.59

▸	NMUR1	Q9HB89	2/20	0.59

▸	TFPI	P10646	1/20	0.59

▸	OPRD1	P41143	2/20	0.58

▸	KDM1A	O60341	1/20	0.58

▸	OPRM1	P35372	1/20	0.58

▸	OPRK1	P41145	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
SCHEMBL31129147	0.92	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30436596	0.92	MAPK8 (0.65)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30775521	0.91	NTSR1 (0.68)	NTSR2NTSR1SORT1OPRD1OPRM1
SCHEMBL30262211	0.91	MAPK8 (0.60)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30176452	0.91	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31129149	0.90	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31129128	0.90	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30176453	0.90	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30512543	0.90	NTSR2 (0.65)	NPY2RNPY4RNPY5RNPY1RNTSR2
SCHEMBL31182907	0.90	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RMAPK8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-117683089-A	Boleophtin as antibacterial peptide of Pacific barracuda and application thereof	厦门大学	2024-03-12	—	—	CN	disclosed