SCHEMBL29462637

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.79

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.79

▸	CRHR1	P34998	1/20	0.69

▸	CRHR2	Q13324	1/20	0.69

▸	GLP1R	P43220	4/20	0.64

▸	GCGR	P47871	3/20	0.64

▸	RAMP1	O60894	1/20	0.64

▸	RAMP2	O60895	1/20	0.64

▸	RAMP3	O60896	1/20	0.64

▸	CALCRL	Q16602	1/20	0.64

▸	NPY2R	P49146	6/20	0.64

▸	NPY4R	P50391	6/20	0.64

▸	NPY5R	Q15761	6/20	0.64

▸	NPY1R	P25929	4/20	0.64

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
SCHEMBL30565137	0.95	CALCR (0.76)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL29767063	0.95	CALCR (0.79)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL29724187	0.93	CALCR (0.79)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31182545	0.93	CALCR (0.75)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30932066	0.93	CALCR (0.77)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30658255	0.93	CALCR (0.77)	CALCRCRHR1CRHR2GLP1RNPY2R
SCHEMBL30063048	0.93	CALCR (0.75)	CALCRCRHR1CRHR2GLP1RRAMP1
SCHEMBL30658283	0.93	CALCR (0.74)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31146727	0.92	CALCR (0.74)	CALCRGLP1RGCGRNPY2RNPY4R
SCHEMBL30686816	0.92	CALCR (0.75)	CALCRCRHR1CRHR2NPY2RNPY4R

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-110669114-B	Lanthionine precursor peptide amyA6, and preparation method and application thereof	河北省科学院生物研究所	2022-03-29	—	—	CN	disclosed