SCHEMBL30767697

CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.59

▸	RAMP3	O60896	1/20	0.58

▸	OPRD1	P41143	5/20	0.57

▸	OPRM1	P35372	2/20	0.57

▸	OPRK1	P41145	2/20	0.57

▸	NTSR1	P30989	2/20	0.55

▸	KEAP1	Q14145	1/20	0.54

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
SCHEMBL30767715	0.99	CALCR (0.58)	CALCRRAMP3OPRD1OPRM1OPRK1
SCHEMBL30767678	0.98	CALCR (0.57)	CALCRRAMP3OPRD1OPRM1OPRK1
SCHEMBL30767703	0.98	CALCR (0.57)	CALCRRAMP3OPRD1OPRM1OPRK1
SCHEMBL29949588	0.88	CALCR (0.68)	CALCR
SCHEMBL29516548	0.88	NTSR1 (0.57)	OPRD1OPRM1OPRK1NTSR1
SCHEMBL30567702	0.87	KDM1A (0.61)	CALCRRAMP3KEAP1
SCHEMBL31332122	0.87	CALCR (0.64)	CALCROPRD1OPRM1OPRK1NTSR1
SCHEMBL31182922	0.86	CALCR (0.71)	CALCR
SCHEMBL29387110	0.86	CALCR (0.60)	CALCROPRD1OPRM1OPRK1
SCHEMBL31295738	0.86	TFPI (0.64)	CALCRKEAP1

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-117327152-A	Digestion-resistant linear epitope peptide of penaeus vannamei allergen and application thereof	大连工业大学	2024-01-02	—	—	CN	disclosed