SCHEMBL29949915

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.69

▸	GLP1R	P43220	15/20	0.65

▸	GCGR	P47871	9/20	0.65

▸	GIPR	P48546	6/20	0.65

▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	CXCR4	P61073	2/20	0.63

▸	CCKBR	P32239	2/20	0.61

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
SCHEMBL30843896	0.92	GLP1R (0.66)	KEAP1GLP1RGCGRGIPRNPY1R
SCHEMBL30658282	0.91	KEAP1 (0.73)	KEAP1GLP1RGCGRGIPRNPY1R
SCHEMBL30658376	0.91	NPY1R (0.70)	KEAP1GLP1RGCGRGIPRNPY1R
SCHEMBL30428975	0.91	NPY2R (0.68)	KEAP1GLP1RGCGRGIPRNPY1R
SCHEMBL30932068	0.91	NPY1R (0.72)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30607317	0.90	KEAP1 (0.67)	KEAP1GLP1RGCGRGIPRNPY1R
SCHEMBL30666393	0.90	NPY1R (0.67)	KEAP1GLP1RGCGRGIPRNPY1R
SCHEMBL30567718	0.90	KEAP1 (0.68)	KEAP1GLP1RGCGRGIPRNPY1R
SCHEMBL29429581	0.90	NPY1R (0.74)	KEAP1GLP1RGCGRNPY1RNPY2R
SCHEMBL29429583	0.90	NPY1R (0.74)	KEAP1GLP1RGCGRNPY1RNPY2R

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
CN-113308448-B	Rice leaf color regulation gene WSS1 and encoding protein and application thereof	中国农业科学院作物科学研究所	2022-11-18	—	—	CN	disclosed