SCHEMBL29949589

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

nearest known ligand 0.57

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	6/20	0.57

▸	CCKBR	P32239	4/20	0.57

▸	CALCR	P30988	4/20	0.56

▸	CXCR4	P61073	2/20	0.54

▸	CALCA	P06881	2/20	0.54

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	CALCRL	Q16602	1/20	0.53

▸	NPY1R	P25929	1/20	0.53

▸	NPY2R	P49146	1/20	0.53

▸	NPY4R	P50391	1/20	0.53

▸	NPY5R	Q15761	1/20	0.53

▸	KISS1R	Q969F8	1/20	0.52

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
SCHEMBL30712903	0.88	CXCR4 (0.65)	GLP1RCCKBRCALCRCXCR4CALCA
SCHEMBL29812751	0.87	GLP1R (0.63)	GLP1RCCKBRCALCRCXCR4NPY1R
SCHEMBL29706258	0.87	GLP1R (0.63)	GLP1RCCKBRCALCRCXCR4NPY1R
SCHEMBL30199355	0.86	CXCR4 (0.61)	GLP1RCCKBRCXCR4CALCACALCRL
SCHEMBL29706185	0.85	GLP1R (0.65)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29812911	0.85	GLP1R (0.65)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29706235	0.85	NPY1R (0.62)	GLP1RCCKBRCALCRCXCR4NPY1R
SCHEMBL29376307	0.85	CALCA (0.63)	GLP1RCCKBRCALCRCXCR4CALCA
SCHEMBL29706349	0.85	GLP1R (0.65)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL10587346	0.85	CXCR4 (0.65)	GLP1RCCKBRCALCRCXCR4NPY1R

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