SCHEMBL30767698

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.51

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	5/20	0.51

▸	OPRM1	P35372	1/20	0.48

▸	KDM1A	O60341	1/20	0.44

▸	MAOB	P27338	1/20	0.44

▸	KDM5A	P29375	1/20	0.44

▸	KDM1B	Q8NB78	1/20	0.44

▸	RAMP1	O60894	1/20	0.43

▸	SLC6A2	P23975	1/20	0.43

▸	NTSR2	O95665	2/20	0.43

▸	NTSR1	P30989	2/20	0.43

▸	SORT1	Q99523	2/20	0.43

▸	NPY2R	P49146	4/20	0.43

▸	NPY4R	P50391	4/20	0.43

▸	NPY5R	Q15761	4/20	0.43

▸	NPY1R	P25929	3/20	0.43

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
SCHEMBL30571129	0.87	CAPN1 (0.52)	OPRM1KDM1AMAOBKDM5AKDM1B
SCHEMBL30390361	0.87	NTSR1 (0.51)	CALCRLKDM1AMAOBKDM5AKDM1B
SCHEMBL29680220	0.86	CAPN1 (0.51)	CALCRLRAMP1SLC6A2NTSR2NTSR1
SCHEMBL30286598	0.86	NTSR1 (0.50)	CALCRLKDM1AMAOBKDM5AKDM1B
SCHEMBL30512644	0.86	NTSR1 (0.56)	NTSR2NTSR1SORT1
SCHEMBL29662318	0.86	CAPN1 (0.48)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30997406	0.85	NPY2R (0.53)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL30930141	0.85	RAMP3 (0.50)	OPRM1NTSR2NTSR1NPY2RNPY4R
SCHEMBL31031590	0.85	KDM1A (0.50)	OPRM1KDM1AMAOBKDM5AKDM1B
SCHEMBL30123066	0.85	NTSR2 (0.48)	CALCRLOPRM1SLC6A2NTSR2NTSR1

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