SCHEMBL30495770

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)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

▸	RAMP3	O60896	1/20	0.55

▸	CALCR	P30988	1/20	0.55

▸	SLC6A2	P23975	1/20	0.52

▸	NPY2R	P49146	3/20	0.52

▸	NPY4R	P50391	3/20	0.52

▸	NPY5R	Q15761	3/20	0.52

▸	NPY1R	P25929	2/20	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
SCHEMBL29884130	0.86	OPRM1 (0.61)	OPRM1OPRD1RAMP3CALCRSLC6A2
SCHEMBL29376302	0.86	OPRM1 (0.64)	OPRM1OPRD1RAMP3CALCRSLC6A2
SCHEMBL30625026	0.86	OPRM1 (0.64)	OPRM1OPRD1RAMP3CALCRSLC6A2
SCHEMBL30495669	0.86	OPRD1 (0.64)	OPRM1OPRD1
SCHEMBL29973255	0.84	NPY2R (0.62)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30974369	0.83	OPRD1 (0.62)	OPRM1OPRD1CALCRNPY2RNPY4R
SCHEMBL30495700	0.83	OPRM1 (0.60)	OPRM1OPRD1RAMP3CALCRSLC6A2
SCHEMBL30648473	0.83	F2 (0.55)	OPRM1OPRD1CALCRSLC6A2
SCHEMBL26342858	0.82	OPRM1 (0.72)	OPRM1OPRD1SLC6A2
SCHEMBL31130613	0.82	CALCR (0.56)	OPRM1OPRD1RAMP3CALCR

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