SCHEMBL29509179

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.78

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.74

▸	NPY2R	P49146	4/20	0.72

▸	NPY4R	P50391	4/20	0.72

▸	NPY5R	Q15761	4/20	0.72

▸	NPY1R	P25929	3/20	0.72

▸	GLP1R	P43220	10/20	0.72

▸	GCGR	P47871	3/20	0.69

▸	CCKBR	P32239	4/20	0.67

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
SCHEMBL30771981	0.95	CALCR (0.77)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658237	0.95	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30966637	0.94	GLP1R (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30159330	0.94	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31217658	0.94	CALCR (0.75)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30932077	0.94	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29843716	0.94	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29595302	0.94	CALCR (0.74)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29991271	0.93	GLP1R (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658316	0.93	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R

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-110684087-B	Lanthionine precursor peptide amyA16, and preparation method and application thereof	河北省科学院生物研究所	2022-03-29	—	—	CN	disclosed