SCHEMBL29949750

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CO)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	6/20	0.64

▸	CALCR	P30988	3/20	0.63

▸	PTH1R	Q03431	6/20	0.61

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	KEAP1	Q14145	1/20	0.60

▸	CCKBR	P32239	1/20	0.59

▸	NPY1R	P25929	1/20	0.59

▸	NPY2R	P49146	1/20	0.59

▸	NPY4R	P50391	1/20	0.59

▸	NPY5R	Q15761	1/20	0.59

▸	GCGR	P47871	1/20	0.59

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
SCHEMBL30658260	0.89	GLP1R (0.68)	GLP1RPTH1RKEAP1NPY1RNPY2R
SCHEMBL30485798	0.89	GLP1R (0.73)	GLP1RCALCRGCGR
SCHEMBL30181569	0.89	GLP1R (0.73)	GLP1RCALCRGCGR
SCHEMBL30181709	0.89	GLP1R (0.73)	GLP1RCALCRGCGR
SCHEMBL31087277	0.89	GLP1R (0.74)	GLP1RCALCRKEAP1GCGR
SCHEMBL31182638	0.89	CALCR (0.64)	GLP1RCALCRPTH1RCRHR1CRHR2
SCHEMBL30658195	0.89	CALCR (0.65)	GLP1RCALCRPTH1RKEAP1NPY1R
SCHEMBL30045080	0.88	GLP1R (0.79)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31182989	0.88	NPY1R (0.67)	GLP1RCALCRNPY1RNPY2RNPY4R
SCHEMBL30658222	0.88	NPY1R (0.69)	GLP1RCALCRNPY1RNPY2RNPY4R

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