SCHEMBL30495652

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.58

▸	OPRM1	P35372	2/20	0.58

▸	OPRD1	P41143	2/20	0.58

▸	OPRK1	P41145	2/20	0.58

▸	NPY2R	P49146	7/20	0.56

▸	NPY4R	P50391	7/20	0.56

▸	NPY5R	Q15761	7/20	0.56

▸	NPY1R	P25929	5/20	0.56

▸	GLP1R	P43220	6/20	0.56

▸	GIPR	P48546	6/20	0.56

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
SCHEMBL30906362	0.90	KEAP1 (0.57)	CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL31688332	0.90	OPRM1 (0.61)	CALCROPRM1OPRD1OPRK1
SCHEMBL30567721	0.89	CALCR (0.64)	CALCROPRM1OPRD1OPRK1
SCHEMBL30906344	0.89	KEAP1 (0.59)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30906484	0.89	TFPI (0.59)	CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL30432083	0.88	CALCR (0.58)	CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL30824299	0.88	CALCR (0.61)	CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL31688352	0.88	OPRD1 (0.60)	OPRM1OPRD1OPRK1
SCHEMBL29656041	0.87	OPRD1 (0.61)	CALCROPRM1OPRD1OPRK1
SCHEMBL30804645	0.87	CALCR (0.59)	CALCRNPY2RNPY4RNPY5RNPY1R

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