SCHEMBL30423662

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.62

▸	F2	P00734	4/20	0.61

▸	AGTR1	P30556	1/20	0.58

▸	AGTR2	P50052	1/20	0.58

▸	OPRD1	P41143	3/20	0.57

▸	C5AR1	P21730	2/20	0.57

▸	CRHR1	P34998	1/20	0.57

▸	CRHR2	Q13324	1/20	0.57

▸	OPRM1	P35372	1/20	0.57

▸	OPRK1	P41145	1/20	0.57

▸	SLC6A2	P23975	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
SCHEMBL30567754	0.90	C5AR1 (0.65)	CALCRF2C5AR1CRHR1CRHR2
SCHEMBL31462343	0.89	CALCR (0.59)	CALCRF2AGTR1AGTR2OPRD1
SCHEMBL30906371	0.88	CALCR (0.65)	CALCRF2CRHR1CRHR2
SCHEMBL30431276	0.88	CALCR (0.64)	CALCRF2CRHR1CRHR2
SCHEMBL30844080	0.88	CALCR (0.67)	CALCRF2OPRD1CRHR1CRHR2
SCHEMBL32691552	0.88	SLC6A2 (0.67)	F2AGTR1AGTR2OPRD1C5AR1
SCHEMBL31182512	0.88	CALCR (0.64)	CALCRF2CRHR1CRHR2
SCHEMBL31462347	0.88	CALCR (0.56)	CALCRF2AGTR1AGTR2C5AR1
SCHEMBL30536330	0.87	CALCR (0.66)	CALCRF2C5AR1CRHR1CRHR2
SCHEMBL30176473	0.87	CALCR (0.64)	CALCRF2OPRD1C5AR1CRHR1

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