SCHEMBL30320527

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.70

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.65

▸	NPY4R	P50391	8/20	0.65

▸	NPY5R	Q15761	8/20	0.65

▸	NPY1R	P25929	6/20	0.65

▸	EP300	Q09472	1/20	0.59

▸	HIF1A	Q16665	1/20	0.59

▸	CALCR	P30988	4/20	0.58

▸	CRHR1	P34998	1/20	0.57

▸	CRHR2	Q13324	1/20	0.57

▸	RAMP3	O60896	1/20	0.57

▸	GLP1R	P43220	4/20	0.57

▸	NMUR2	Q9GZQ4	1/20	0.56

▸	NMUR1	Q9HB89	1/20	0.56

▸	GCGR	P47871	2/20	0.55

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
SCHEMBL30658393	0.91	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30176483	0.90	CALCR (0.66)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL29779564	0.89	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31146614	0.88	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31694500	0.88	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL29360287	0.87	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29838176	0.87	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31105560	0.87	NPY2R (0.72)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31182556	0.87	CALCR (0.70)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607435	0.87	NPY2R (0.76)	NPY2RNPY4RNPY5RNPY1REP300

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-111269289-B	Tumor cell affinity peptide separated from venenum bufonis and screening method thereof	南京中医药大学	2023-04-18	—	—	CN	disclosed