SCHEMBL30277905

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

nearest known ligand 0.55

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.55

▸	GLP1R	P43220	12/20	0.55

▸	SCTR	P47872	1/20	0.55

▸	CRHR1	P34998	1/20	0.54

▸	CRHR2	Q13324	1/20	0.54

▸	BACE1	P56817	2/20	0.52

▸	TFPI	P10646	1/20	0.52

▸	GCGR	P47871	1/20	0.52

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
SCHEMBL29461469	0.92	CALCR (0.55)	CALCRGLP1RCRHR1CRHR2
SCHEMBL29680082	0.91	GLP1R (0.51)	CALCRGLP1RSCTRCRHR1CRHR2
SCHEMBL30656877	0.90	GLP1R (0.61)	CALCRGLP1RSCTRGCGR
SCHEMBL30656876	0.90	GLP1R (0.61)	CALCRGLP1RSCTRGCGR
SCHEMBL30209778	0.90	BACE1 (0.56)	CALCRGLP1RSCTRBACE1TFPI
SCHEMBL30974396	0.90	TFPI (0.60)	GLP1RSCTRTFPIGCGR
SCHEMBL30432115	0.90	VIPR2 (0.60)	CALCRGLP1RCRHR1CRHR2
SCHEMBL30607430	0.90	CALCR (0.64)	CALCRGLP1RSCTRCRHR1CRHR2
SCHEMBL30148474	0.89	GLP1R (0.67)	CALCRGLP1RSCTRGCGR
SCHEMBL30974518	0.89	TFPI (0.62)	GLP1RSCTRTFPIGCGR

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-115873108-A	Anti-jujube witches broom phytoplasma monoclonal antibody and jujube witches broom phytoplasma colloidal gold detection test paper	山东省果树研究所	2023-03-31	—	—	CN	disclosed