SCHEMBL30423666

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	CXCR4	P61073	8/20	0.63

▸	KEAP1	Q14145	1/20	0.61

▸	PTH1R	Q03431	6/20	0.60

▸	GLP1R	P43220	2/20	0.58

▸	IL23R	Q5VWK5	1/20	0.58

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
SCHEMBL30199479	0.89	NPY1R (0.58)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182648	0.89	NPY2R (0.72)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658309	0.88	KEAP1 (0.68)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL34461077	0.88	CXCR4 (0.58)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL34461097	0.88	CXCR4 (0.59)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182589	0.88	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30607305	0.88	NPY2R (0.72)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30824281	0.88	NPY2R (0.70)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30883203	0.88	NPY1R (0.65)	NPY1RNPY2RNPY4RNPY5RKEAP1
SCHEMBL31182504	0.88	NPY2R (0.73)	NPY1RNPY2RNPY4RNPY5RCXCR4

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