SCHEMBL31276406

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	5/20	0.62

▸	OPRM1	P35372	2/20	0.60

▸	OPRK1	P41145	2/20	0.60

▸	NPY2R	P49146	5/20	0.58

▸	NPY4R	P50391	5/20	0.58

▸	NPY5R	Q15761	5/20	0.58

▸	NPY1R	P25929	4/20	0.58

▸	TFPI	P10646	2/20	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
SCHEMBL30775521	0.91	NTSR1 (0.68)	OPRD1OPRM1OPRK1
SCHEMBL31276264	0.88	TFPI (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30607307	0.88	OPRM1 (0.57)	OPRD1OPRM1OPRK1NPY2RNPY4R
SCHEMBL1421888	0.88	OPRD1 (0.69)	OPRD1OPRM1OPRK1
SCHEMBL1421598	0.88	NTSR1 (0.72)	OPRD1OPRM1OPRK1
SCHEMBL1421605	0.88	NTSR1 (0.72)	OPRD1OPRM1OPRK1
SCHEMBL1421525	0.88	NTSR1 (0.72)	OPRD1OPRM1OPRK1
SCHEMBL1421513	0.88	NTSR1 (0.72)	OPRD1OPRM1OPRK1
SCHEMBL1421931	0.88	OPRD1 (0.69)	OPRD1OPRM1OPRK1
SCHEMBL1421906	0.88	OPRD1 (0.69)	OPRD1OPRM1OPRK1

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-118878636-A	Pepper eicosapeptide Pecbloodin and application thereof	厦门大学	2024-11-01	—	—	CN	disclosed