SCHEMBL30495700

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.60

▸	OPRD1	P41143	4/20	0.60

▸	SLC6A2	P23975	2/20	0.57

▸	RAMP3	O60896	1/20	0.56

▸	CALCR	P30988	1/20	0.56

▸	NTSR1	P30989	1/20	0.54

▸	NMUR2	Q9GZQ4	2/20	0.52

▸	NMUR1	Q9HB89	2/20	0.52

▸	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
SCHEMBL31000918	0.90	RAMP3 (0.58)	OPRM1OPRD1RAMP3CALCRNTSR1
SCHEMBL30726587	0.88	RAMP3 (0.61)	OPRM1OPRD1RAMP3CALCRNTSR1
SCHEMBL29973255	0.86	NPY2R (0.62)	RAMP3CALCRNTSR1NMUR2NMUR1
SCHEMBL29376302	0.86	OPRM1 (0.64)	OPRM1OPRD1SLC6A2RAMP3CALCR
SCHEMBL30625026	0.86	OPRM1 (0.64)	OPRM1OPRD1SLC6A2RAMP3CALCR
SCHEMBL29884130	0.85	OPRM1 (0.61)	OPRM1OPRD1SLC6A2RAMP3CALCR
SCHEMBL29569375	0.85	OPRM1 (0.61)	OPRM1OPRD1SLC6A2NMUR2NMUR1
SCHEMBL31130613	0.85	CALCR (0.56)	OPRM1OPRD1RAMP3CALCRNMUR2
SCHEMBL29856042	0.84	RAMP3 (0.56)	OPRM1OPRD1SLC6A2RAMP3CALCR
SCHEMBL30364917	0.84	OPRM1 (0.61)	OPRM1OPRD1SLC6A2RAMP3CALCR

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