SCHEMBL30423449

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	3/20	0.69

▸	NPY4R	P50391	3/20	0.69

▸	NPY5R	Q15761	3/20	0.69

▸	NPY1R	P25929	2/20	0.69

▸	CXCR4	P61073	9/20	0.67

▸	C5AR1	P21730	1/20	0.64

▸	IL23R	Q5VWK5	1/20	0.64

▸	GLP1R	P43220	3/20	0.61

▸	PTH1R	Q03431	1/20	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
SCHEMBL30721554	0.91	NPY2R (0.76)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182745	0.91	NPY1R (0.71)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30578720	0.90	NPY1R (0.69)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182815	0.90	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30423525	0.90	NPY2R (0.72)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30607294	0.90	CXCR4 (0.72)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30816280	0.89	NPY1R (0.65)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29430205	0.89	NPY1R (0.65)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29430200	0.89	NPY2R (0.74)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30495697	0.89	NPY1R (0.68)	NPY2RNPY4RNPY5RNPY1RCXCR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-110199029-B	Method for preparing rebaudioside C by enzyme method	百事可乐公司	2023-09-05	—	—	CN	disclosed
CN-109890973-B	Method for preparing rebaudioside N by enzyme method	百事可乐公司	2023-05-23	—	—	CN	disclosed