SCHEMBL30495837

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

nearest known ligand 0.62

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.61

▸	OPRD1	P41143	4/20	0.61

▸	NMUR2	Q9GZQ4	5/20	0.61

▸	NMUR1	Q9HB89	5/20	0.61

▸	MC4R	P32245	1/20	0.56

▸	MC5R	P33032	1/20	0.56

▸	MC3R	P41968	1/20	0.56

▸	MC1R	Q01726	1/20	0.56

▸	RAMP3	O60896	1/20	0.56

▸	CALCR	P30988	1/20	0.56

▸	EPHA2	P29317	2/20	0.54

▸	CXCL8	P10145	5/20	0.54

▸	TFPI	P10646	1/20	0.54

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
SCHEMBL30536701	0.90	OPRM1 (0.58)	OPRM1OPRD1NMUR2NMUR1MC4R
SCHEMBL5163482	0.90	NMUR2 (0.60)	NMUR2NMUR1RAMP3CALCRCXCL8
SCHEMBL30876339	0.89	OPRD1 (0.58)	OPRM1OPRD1NMUR2NMUR1MC4R
SCHEMBL30842174	0.89	MC4R (0.58)	OPRM1OPRD1NMUR2NMUR1MC4R
SCHEMBL29489270	0.89	TFPI (0.58)	NMUR2NMUR1MC4RMC5RMC3R
SCHEMBL30842159	0.88	NMUR2 (0.64)	OPRM1OPRD1NMUR2NMUR1MC4R
SCHEMBL30842169	0.87	NMUR2 (0.65)	OPRM1OPRD1NMUR2NMUR1MC4R
SCHEMBL30567783	0.86	TFPI (0.60)	OPRD1TFPI
SCHEMBL31295738	0.85	TFPI (0.64)	CALCRTFPI
SCHEMBL31052975	0.85	NMUR2 (0.58)	OPRM1OPRD1NMUR2NMUR1EPHA2

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