SCHEMBL30436302

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	6/20	0.67

▸	C5AR1	P21730	2/20	0.66

▸	NPY1R	P25929	1/20	0.65

▸	NPY2R	P49146	1/20	0.65

▸	NPY4R	P50391	1/20	0.65

▸	NPY5R	Q15761	1/20	0.65

▸	GCGR	P47871	3/20	0.64

▸	KEAP1	Q14145	1/20	0.63

▸	CALCR	P30988	3/20	0.62

▸	PTH1R	Q03431	5/20	0.62

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
SCHEMBL31182586	0.94	GLP1R (0.70)	GLP1RC5AR1NPY1RNPY2RNPY4R
SCHEMBL30432809	0.92	GLP1R (0.68)	GLP1RC5AR1NPY1RNPY2RNPY4R
SCHEMBL31146547	0.91	GLP1R (0.74)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30717268	0.91	C5AR1 (0.65)	GLP1RC5AR1GCGRKEAP1PTH1R
SCHEMBL30431267	0.91	GLP1R (0.65)	GLP1RC5AR1NPY1RNPY2RNPY4R
SCHEMBL31202689	0.90	CALCR (0.73)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29965312	0.90	NPY1R (0.68)	GLP1RC5AR1NPY1RNPY2RNPY4R
SCHEMBL31465126	0.90	CALCR (0.69)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30437189	0.90	CALCR (0.74)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31182484	0.90	KEAP1 (0.72)	GLP1RGCGRKEAP1CALCRPTH1R

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-20230167470-A1	METHOD AND STRAINS FOR REDUCING BYPRODUCT SUCCINIC ACID IN FERMENTATION PROCESS OF L-MALIC ACID AND USE THEREOF	Nanjing Haohe Biotechnology Co., Ltd. (CN)	2023-06-01	—	—	US	disclosed