SCHEMBL30495676

NC(=O)CC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.63

▸	OPRD1	P41143	4/20	0.63

▸	NMUR2	Q9GZQ4	5/20	0.56

▸	NMUR1	Q9HB89	5/20	0.56

▸	BDKRB2	P30411	1/20	0.54

▸	F2	P00734	4/20	0.52

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
SCHEMBL29591920	0.88	OPRM1 (0.56)	OPRM1OPRD1NMUR2NMUR1
SCHEMBL30495628	0.87	OPRD1 (0.61)	OPRM1OPRD1NMUR2NMUR1
SCHEMBL31694459	0.86	OPRM1 (0.61)	OPRM1OPRD1NMUR2NMUR1BDKRB2
SCHEMBL29796546	0.86	OPRM1 (0.56)	OPRM1OPRD1NMUR2NMUR1
SCHEMBL29939823	0.86	OPRM1 (0.63)	OPRM1OPRD1NMUR2NMUR1
SCHEMBL30495669	0.86	OPRD1 (0.64)	OPRM1OPRD1NMUR2NMUR1
SCHEMBL31490020	0.85	OPRM1 (0.59)	OPRM1OPRD1NMUR2NMUR1
SCHEMBL29465926	0.85	OPRM1 (0.59)	OPRM1OPRD1NMUR2NMUR1
SCHEMBL30608620	0.85	OPRM1 (0.53)	OPRM1OPRD1NMUR2NMUR1BDKRB2
SCHEMBL31241527	0.85	OPRM1 (0.64)	OPRM1OPRD1NMUR2NMUR1BDKRB2

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
US-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed