SCHEMBL30423542

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.66

▸	NPY2R	P49146	1/20	0.66

▸	NPY4R	P50391	1/20	0.66

▸	NPY5R	Q15761	1/20	0.66

▸	KISS1R	Q969F8	4/20	0.65

▸	CXCR4	P61073	4/20	0.62

▸	CXCL8	P10145	1/20	0.61

▸	GLP1R	P43220	7/20	0.61

▸	GCGR	P47871	3/20	0.61

▸	C5AR1	P21730	1/20	0.60

▸	GIPR	P48546	3/20	0.60

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
SCHEMBL30423525	0.93	NPY2R (0.72)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29351200	0.91	NPY2R (0.73)	NPY1RNPY2RNPY4RNPY5RKISS1R
SCHEMBL29578881	0.91	NPY2R (0.73)	NPY1RNPY2RNPY4RNPY5RKISS1R
SCHEMBL34470137	0.91	KISS1R (0.67)	NPY1RNPY2RNPY4RNPY5RKISS1R
SCHEMBL30646309	0.90	CXCR4 (0.71)	NPY1RNPY2RNPY4RNPY5RKISS1R
SCHEMBL29416046	0.90	CXCR4 (0.71)	NPY1RNPY2RNPY4RNPY5RKISS1R
SCHEMBL29843747	0.90	NPY1R (0.73)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182600	0.90	NPY2R (0.67)	NPY1RNPY2RNPY4RNPY5RKISS1R
SCHEMBL31307225	0.90	IL23R (0.65)	NPY1RNPY2RNPY4RNPY5RKISS1R
SCHEMBL31410855	0.89	KISS1R (0.65)	NPY1RNPY2RNPY4RNPY5RKISS1R

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