SCHEMBL30800084

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O

nearest known ligand 0.73

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	2/20	0.71

▸	NPY2R	P49146	2/20	0.71

▸	NPY4R	P50391	2/20	0.71

▸	NPY5R	Q15761	2/20	0.71

▸	GLP1R	P43220	9/20	0.69

▸	CCKBR	P32239	4/20	0.69

▸	CALCR	P30988	4/20	0.68

▸	GCGR	P47871	3/20	0.65

▸	HCRTR1	O43613	1/20	0.65

▸	HCRTR2	O43614	1/20	0.65

▸	CXCR4	P61073	2/20	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
SCHEMBL30800085	1.00	NPY1R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30800087	1.00	NPY1R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30800083	0.99	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30800086	0.99	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31000908	0.94	NPY2R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29991271	0.92	GLP1R (0.73)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182507	0.92	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31190494	0.92	CALCR (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182708	0.92	NPY1R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30712926	0.91	GLP1R (0.67)	NPY1RNPY2RNPY4RNPY5RGLP1R

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-117756893-A	EGFR (epidermal growth factor receptor) inhibition polypeptide compound and preparation method and application thereof	无锡市人民医院	2024-03-26	—	—	CN	disclosed