SCHEMBL30767145

NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	1/20	0.46

▸	NMUR1	Q9HB89	1/20	0.46

▸	F2	P00734	1/20	0.44

▸	OPRD1	P41143	8/20	0.44

▸	OPRM1	P35372	4/20	0.44

▸	APLNR	P35414	2/20	0.42

▸	CXCR4	P61073	1/20	0.41

▸	NTSR2	O95665	1/20	0.40

▸	NTSR1	P30989	1/20	0.40

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
SCHEMBL28356821	0.90	CXCR4 (0.47)	NMUR2NMUR1F2OPRD1OPRM1
SCHEMBL30006262	0.88	NMUR2 (0.46)	NMUR2NMUR1OPRD1OPRM1CXCR4
SCHEMBL31655163	0.88	CXCR4 (0.47)	NMUR2NMUR1F2APLNRCXCR4
SCHEMBL29374733	0.86	CXCR4 (0.45)	NMUR2NMUR1APLNRCXCR4
SCHEMBL29429189	0.86	NMUR2 (0.46)	NMUR2NMUR1F2OPRD1OPRM1
SCHEMBL31655138	0.85	NMUR2 (0.43)	NMUR2NMUR1OPRD1OPRM1CXCR4
SCHEMBL30883345	0.85	APLNR (0.45)	F2APLNR
SCHEMBL30275450	0.85	CXCR4 (0.46)	NMUR2NMUR1OPRD1APLNRCXCR4
SCHEMBL29569081	0.85	F2 (0.47)	F2OPRD1OPRM1APLNRNTSR2
SCHEMBL29824941	0.85	NTMT1 (0.45)	F2OPRD1OPRM1APLNRNTSR2

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-117466968-A	Synthetic method of multi-pair disulfide bond polypeptide	吉尔生化（上海）有限公司	2024-01-30	—	—	CN	disclosed