SCHEMBL30495776

NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.59

▸	OPRM1	P35372	4/20	0.56

▸	OPRD1	P41143	4/20	0.56

▸	SLC6A2	P23975	1/20	0.53

▸	C5AR1	P21730	2/20	0.52

▸	NMUR2	Q9GZQ4	3/20	0.50

▸	NMUR1	Q9HB89	3/20	0.50

▸	CALCR	P30988	2/20	0.50

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
SCHEMBL31373856	0.89	F2 (0.56)	F2OPRM1OPRD1SLC6A2C5AR1
SCHEMBL29390515	0.87	OPRM1 (0.52)	F2OPRM1OPRD1SLC6A2
SCHEMBL32691827	0.87	OPRM1 (0.55)	F2OPRM1OPRD1SLC6A2C5AR1
SCHEMBL29802631	0.87	SLC6A2 (0.60)	OPRM1OPRD1SLC6A2
SCHEMBL30033999	0.86	KISS1R (0.57)	OPRM1C5AR1
SCHEMBL32665685	0.86	F2 (0.52)	F2OPRM1OPRD1SLC6A2NMUR2
SCHEMBL30367722	0.86	OPRM1 (0.60)	F2OPRM1OPRD1SLC6A2C5AR1
SCHEMBL30383148	0.85	OPRM1 (0.53)	OPRM1OPRD1SLC6A2
SCHEMBL29796546	0.85	OPRM1 (0.56)	OPRM1OPRD1SLC6A2NMUR2NMUR1
SCHEMBL31452908	0.85	SLC6A2 (0.57)	F2OPRM1OPRD1SLC6A2CALCR

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