SCHEMBL30423162

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

nearest known ligand 0.61

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	11/20	0.61

▸	IL23R	Q5VWK5	1/20	0.60

▸	NPY1R	P25929	1/20	0.59

▸	NPY2R	P49146	1/20	0.59

▸	NPY4R	P50391	1/20	0.59

▸	NPY5R	Q15761	1/20	0.59

▸	CALCA	P06881	2/20	0.58

▸	C5AR1	P21730	1/20	0.56

▸	KEAP1	Q14145	1/20	0.56

▸	GLP1R	P43220	1/20	0.56

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
SCHEMBL30256968	0.89	NPY1R (0.66)	IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31664364	0.88	NPY1R (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30883245	0.88	CXCR4 (0.62)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31073511	0.88	CXCR4 (0.61)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30275583	0.87	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30578728	0.87	CXCR4 (0.66)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31154481	0.86	CXCR4 (0.67)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30199479	0.86	NPY1R (0.58)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31664365	0.86	NPY2R (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30883231	0.86	CXCR4 (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R

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 3 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-110177881-B	Method for preparing rebaudioside J by enzyme method	百事可乐公司	2023-06-02	—	—	CN	disclosed
CN-109890973-B	Method for preparing rebaudioside N by enzyme method	百事可乐公司	2023-05-23	—	—	CN	disclosed