SCHEMBL30431027

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	2/20	0.61

▸	OPRD1	P41143	1/20	0.61

▸	OPRK1	P41145	1/20	0.61

▸	NMUR2	Q9GZQ4	1/20	0.59

▸	NMUR1	Q9HB89	1/20	0.59

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
SCHEMBL29419165	0.93	OPRD1 (0.61)	OPRM1OPRD1OPRK1NMUR2NMUR1
Acetic Acid SCHEMBL11289266	0.90	OPRM1 (0.69)	OPRM1OPRD1OPRK1
SCHEMBL31187484	0.87	NTSR2 (0.60)	—
SCHEMBL29445676	0.87	SLC6A2 (0.64)	OPRM1OPRD1NMUR2NMUR1
SCHEMBL29788968	0.86	NMUR2 (0.60)	OPRM1OPRD1NMUR2NMUR1
Endomorphin 2 SCHEMBL22649436	0.86	OPRM1 (0.76)	OPRM1OPRD1OPRK1
Endomorphin 2 SCHEMBL29387366	0.86	OPRM1 (0.76)	OPRM1OPRD1OPRK1
Endomorphin 2 SCHEMBL13252092	0.86	OPRM1 (0.76)	OPRM1OPRD1OPRK1
Endomorphin 2 SCHEMBL29577635	0.86	OPRM1 (0.76)	OPRM1OPRD1OPRK1
SCHEMBL29616319	0.85	SLC6A2 (0.53)	OPRM1OPRD1OPRK1NMUR2NMUR1

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-116162654-A	Recombinant poxviruses for cancer immunotherapy	纪念斯隆凯特琳癌症中心	2023-05-26	—	—	CN	disclosed