SCHEMBL29397427

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	5/20	0.57

▸	GLP1R	P43220	3/20	0.56

▸	SCTR	P47872	1/20	0.56

▸	TFPI	P10646	1/20	0.55

▸	NPY4R	P50391	8/20	0.53

▸	NPY1R	P25929	6/20	0.53

▸	NPY5R	Q15761	6/20	0.53

▸	NPY2R	P49146	3/20	0.53

▸	VIPR1	P32241	1/20	0.51

▸	RAMP3	O60896	1/20	0.51

▸	CALCR	P30988	1/20	0.51

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
SCHEMBL29854592	0.96	GLP1R (0.57)	KISS1RGLP1RSCTRTFPIVIPR1
SCHEMBL30895760	0.94	NPY4R (0.58)	KISS1RGLP1RSCTRNPY4RNPY1R
SCHEMBL30285520	0.94	NPY4R (0.58)	KISS1RGLP1RSCTRNPY4RNPY1R
SCHEMBL31332072	0.93	GLP1R (0.56)	KISS1RGLP1RSCTRNPY4RNPY1R
SCHEMBL29854516	0.91	KISS1R (0.61)	KISS1RGLP1RSCTRTFPIVIPR1
SCHEMBL31000898	0.90	GLP1R (0.61)	GLP1RSCTRVIPR1
SCHEMBL29854682	0.90	GLP1R (0.61)	KISS1RGLP1RSCTRTFPIVIPR1
SCHEMBL29695530	0.90	KISS1R (0.59)	KISS1RGLP1RSCTRNPY4RNPY1R
SCHEMBL29527055	0.89	GLP1R (0.57)	KISS1RGLP1RSCTRNPY4RNPY1R
SCHEMBL29720184	0.89	GLP1R (0.65)	GLP1RSCTRTFPIVIPR1

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-114075265-A	Polypeptide tyrosine analogue and sustained-release preparation containing same	丽珠医药集团股份有限公司	2022-02-22	—	—	CN	claimed
CN-114075265-A	Polypeptide tyrosine analogue and sustained-release preparation containing same	丽珠医药集团股份有限公司	2022-02-22	—	—	CN	disclosed