SCHEMBL30436336

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

nearest known ligand 0.65

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	2/20	0.65

▸	GLP1R	P43220	9/20	0.64

▸	CCKBR	P32239	4/20	0.64

▸	CALCR	P30988	4/20	0.63

▸	HCRTR1	O43613	1/20	0.60

▸	HCRTR2	O43614	1/20	0.60

▸	C5AR1	P21730	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

▸	NMBR	P28336	1/20	0.58

▸	GRPR	P30550	1/20	0.58

▸	GCGR	P47871	5/20	0.57

▸	GIPR	P48546	5/20	0.57

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
SCHEMBL30607270	0.89	NPY2R (0.66)	CXCR4GLP1RNPY1RNPY2RNPY4R
SCHEMBL29461511	0.88	GLP1R (0.62)	CXCR4GLP1RCCKBRCALCRC5AR1
SCHEMBL30495677	0.88	NPY1R (0.72)	GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL31105353	0.88	GLP1R (0.70)	GLP1RCCKBRCALCRC5AR1NPY1R
SCHEMBL31182507	0.87	NPY1R (0.72)	CXCR4GLP1RCCKBRCALCRC5AR1
SCHEMBL30658355	0.87	GLP1R (0.67)	GLP1RCCKBRCALCRHCRTR1HCRTR2
SCHEMBL30537029	0.87	GLP1R (0.72)	GLP1RCCKBRCALCRHCRTR1HCRTR2
SCHEMBL30767709	0.87	GLP1R (0.61)	CXCR4GLP1RCCKBRCALCRC5AR1
SCHEMBL31182675	0.87	CALCR (0.65)	CXCR4GLP1RCCKBRCALCRC5AR1
SCHEMBL31182867	0.87	CALCR (0.63)	CXCR4GLP1RCCKBRCALCRNPY1R

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