SCHEMBL30495751

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

nearest known ligand 0.61

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	7/20	0.59

▸	NPY2R	P49146	7/20	0.57

▸	NPY4R	P50391	7/20	0.57

▸	NPY5R	Q15761	7/20	0.57

▸	NPY1R	P25929	5/20	0.57

▸	RAMP3	O60896	3/20	0.56

▸	KEAP1	Q14145	1/20	0.56

▸	HCRTR1	O43613	1/20	0.55

▸	HCRTR2	O43614	1/20	0.55

▸	EP300	Q09472	1/20	0.55

▸	HIF1A	Q16665	1/20	0.55

▸	F2	P00734	2/20	0.55

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
SCHEMBL30712888	0.92	CALCR (0.62)	CALCRKEAP1F2
SCHEMBL30607374	0.91	CALCR (0.58)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567721	0.90	CALCR (0.64)	CALCRRAMP3F2
SCHEMBL30428845	0.88	OPRM1 (0.63)	CALCRRAMP3F2
SCHEMBL30527894	0.88	CALCR (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29416057	0.88	CALCR (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31388233	0.88	KEAP1 (0.60)	CALCRRAMP3KEAP1F2
SCHEMBL30607287	0.88	NPY2R (0.60)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31000876	0.88	CALCR (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29856042	0.87	RAMP3 (0.56)	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