SCHEMBL30422726

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)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](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.71

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	7/20	0.71

▸	F2	P00734	4/20	0.66

▸	CRHR1	P34998	1/20	0.65

▸	CRHR2	Q13324	1/20	0.65

▸	HCRTR1	O43613	1/20	0.62

▸	HCRTR2	O43614	1/20	0.62

▸	KDM1A	O60341	2/20	0.61

▸	NMBR	P28336	1/20	0.60

▸	GRPR	P30550	1/20	0.60

▸	RAMP1	O60894	1/20	0.60

▸	RAMP2	O60895	1/20	0.60

▸	RAMP3	O60896	1/20	0.60

▸	CALCRL	Q16602	1/20	0.60

▸	TFPI	P10646	1/20	0.60

▸	CCKBR	P32239	1/20	0.59

▸	GLP1R	P43220	1/20	0.59

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
SCHEMBL29868596	0.90	CALCR (0.69)	CALCRKDM1ARAMP1RAMP2RAMP3
SCHEMBL31182593	0.90	F2 (0.66)	CALCRF2HCRTR1HCRTR2NMBR
SCHEMBL31464899	0.89	CALCR (0.69)	CALCRCRHR1CRHR2KDM1ARAMP1
SCHEMBL31464902	0.89	CALCR (0.69)	CALCRCRHR1CRHR2KDM1ARAMP1
SCHEMBL29939733	0.89	CALCR (0.73)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30432123	0.88	CALCR (0.68)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31504149	0.88	CALCR (0.67)	CALCRCRHR1CRHR2KDM1ARAMP1
SCHEMBL31182872	0.88	CALCR (0.73)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30432534	0.88	CALCR (0.76)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30607353	0.88	F2 (0.68)	CALCRF2CRHR1CRHR2HCRTR1

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