SCHEMBL30495800

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

nearest known ligand 0.52

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CCKBR	P32239	9/20	0.51

▸	CCKAR	P32238	1/20	0.48

▸	OPRM1	P35372	1/20	0.47

▸	OPRD1	P41143	1/20	0.47

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
SCHEMBL30495745	0.90	OPRD1 (0.49)	CCKBRCCKAROPRM1OPRD1
SCHEMBL29994088	0.88	OPRD1 (0.51)	CCKBRCCKAROPRM1OPRD1
SCHEMBL31257044	0.87	CCKBR (0.51)	CCKBROPRM1OPRD1
SCHEMBL30495786	0.85	TFPI (0.58)	CCKBR
SCHEMBL30512705	0.85	OPRM1 (0.52)	OPRM1OPRD1
SCHEMBL29591841	0.83	BACE1 (0.52)	CCKBRCCKAR
SCHEMBL29591811	0.83	OPRD1 (0.52)	CCKBRCCKAROPRM1OPRD1
SCHEMBL29630684	0.83	NPY1R (0.49)	—
SCHEMBL29695538	0.82	NAALAD2 (0.52)	CCKBRCCKAROPRM1OPRD1
SCHEMBL31257056	0.81	OPRD1 (0.54)	OPRM1OPRD1

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