SCHEMBL30979202

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	12/20	0.64

▸	KEAP1	Q14145	1/20	0.63

▸	CALCR	P30988	3/20	0.60

▸	CCKBR	P32239	1/20	0.60

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	PTH1R	Q03431	1/20	0.60

▸	VIPR1	P32241	1/20	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
SCHEMBL30387584	0.95	GLP1R (0.65)	GLP1RKEAP1CALCRCCKBRPTH1R
SCHEMBL31441459	0.95	KEAP1 (0.65)	GLP1RKEAP1CCKBR
SCHEMBL29520076	0.94	GLP1R (0.67)	GLP1RKEAP1CALCRCCKBRPTH1R
SCHEMBL29939727	0.93	GLP1R (0.72)	GLP1RCALCRCCKBRVIPR1
SCHEMBL29939655	0.93	GLP1R (0.70)	GLP1RCALCRCCKBRVIPR1
SCHEMBL30970990	0.93	GLP1R (0.71)	GLP1RCALCRCCKBRVIPR1
SCHEMBL31139979	0.93	GLP1R (0.66)	GLP1R
SCHEMBL31743239	0.92	GLP1R (0.68)	GLP1R
SCHEMBL31139948	0.92	GLP1R (0.66)	GLP1RCCKBR
SCHEMBL29682931	0.92	GLP1R (0.65)	GLP1RCALCRCCKBR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-118271390-A	Preparation method and application of spy catcher mutant	江苏贝奥泰克生物科技有限公司	2024-07-02	—	—	CN	disclosed