SCHEMBL29973451

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	9/20	0.60

▸	NMUR1	Q9HB89	9/20	0.60

▸	OPRM1	P35372	8/20	0.60

▸	OPRK1	P41145	7/20	0.60

▸	KISS1R	Q969F8	1/20	0.55

▸	OPRD1	P41143	1/20	0.55

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
SCHEMBL29604784	0.96	OPRM1 (0.63)	NMUR2NMUR1OPRM1OPRK1KISS1R
SCHEMBL31187483	0.94	NMUR2 (0.63)	NMUR2NMUR1OPRM1OPRK1KISS1R
SCHEMBL30498687	0.92	OPRM1 (0.63)	NMUR2NMUR1OPRM1OPRK1KISS1R
SCHEMBL31316619	0.91	F2 (0.53)	NMUR2NMUR1OPRM1OPRK1OPRD1
SCHEMBL30799488	0.90	OPRM1 (0.57)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL30402818	0.90	NMUR2 (0.66)	NMUR2NMUR1OPRM1OPRD1
SCHEMBL30233902	0.90	OPRM1 (0.62)	NMUR2NMUR1OPRM1OPRD1
SCHEMBL29464014	0.89	OPRM1 (0.62)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL29619342	0.89	NMUR2 (0.55)	NMUR2NMUR1OPRM1OPRK1OPRD1
SCHEMBL18176610	0.89	OPRK1 (0.63)	NMUR2NMUR1OPRM1OPRK1

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
EP-4067370-A1	HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS	Yu, Chongxi (US)	2022-10-05	—	—	EP	disclosed