SCHEMBL30310002

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.66

▸	NPY4R	P50391	8/20	0.66

▸	NPY5R	Q15761	8/20	0.66

▸	NPY1R	P25929	6/20	0.66

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	TFPI	P10646	4/20	0.59

▸	KDM1A	O60341	2/20	0.59

▸	CALCR	P30988	3/20	0.57

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
SCHEMBL30437373	0.90	MAPK8 (0.71)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31182685	0.90	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30432199	0.90	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31182824	0.90	NPY2R (0.72)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30432392	0.90	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29903341	0.90	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31182846	0.89	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30658285	0.89	NPY2R (0.72)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30436229	0.88	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29370399	0.88	MAPK8 (0.59)	NPY2RNPY4RNPY5RNPY1RMAPK8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-115850388-B	lncRNA encoded anticancer peptide AC115619-22AA and application thereof	深圳市人民医院	2023-09-26	—	—	CN	disclosed
CN-115850388-A	lncRNA coded anti-cancer peptide AC115619-22AA and application	深圳市人民医院	2023-03-28	—	—	CN	disclosed