SCHEMBL31228800

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

nearest known ligand 0.55

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	2/20	0.48

▸	OPRD1	P41143	2/20	0.48

▸	OPRK1	P41145	2/20	0.48

▸	KEAP1	Q14145	1/20	0.48

▸	NMUR2	Q9GZQ4	2/20	0.47

▸	CAPN1	P07384	2/20	0.46

▸	KDM1A	O60341	2/20	0.46

▸	MAOB	P27338	1/20	0.46

▸	KDM5A	P29375	1/20	0.46

▸	KDM1B	Q8NB78	1/20	0.46

▸	CXCR4	P61073	1/20	0.46

▸	F2R	P25116	2/20	0.45

▸	NTSR2	O95665	1/20	0.45

▸	NTSR1	P30989	1/20	0.45

▸	SORT1	Q99523	1/20	0.45

▸	NMUR1	Q9HB89	1/20	0.45

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
SCHEMBL29611353	0.92	CAPN1 (0.48)	NMUR2CAPN1NTSR2NTSR1SORT1
SCHEMBL31031457	0.92	CAPN1 (0.50)	OPRM1OPRD1OPRK1CAPN1KDM1A
SCHEMBL31031524	0.92	CAPN1 (0.50)	OPRM1OPRD1OPRK1CAPN1KDM1A
SCHEMBL31031527	0.91	CAPN1 (0.49)	OPRM1OPRD1OPRK1CAPN1KDM1A
SCHEMBL30571129	0.91	CAPN1 (0.52)	OPRM1OPRD1OPRK1CAPN1KDM1A
SCHEMBL31031590	0.90	KDM1A (0.50)	OPRM1OPRD1OPRK1CAPN1KDM1A
SCHEMBL31031564	0.89	CAPN1 (0.51)	OPRM1OPRD1OPRK1CAPN1KDM1A
SCHEMBL29611806	0.89	CAPN1 (0.51)	OPRM1OPRD1OPRK1NMUR2CAPN1
SCHEMBL29612067	0.88	CAPN1 (0.49)	OPRM1OPRD1OPRK1CAPN1NTSR2
SCHEMBL30242243	0.88	CXCR4 (0.53)	OPRM1OPRD1OPRK1KEAP1CXCR4

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-118725034-B	Clam immune active peptide and screening method and application thereof	鲁东大学	2024-12-03	—	—	CN	disclosed
CN-118725034-A	Clam immune active peptide and screening method and application thereof	鲁东大学	2024-10-01	—	—	CN	disclosed