SCHEMBL29514899

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.66

▸	NPY2R	P49146	8/20	0.65

▸	NPY4R	P50391	8/20	0.65

▸	NPY5R	Q15761	8/20	0.65

▸	NPY1R	P25929	6/20	0.65

▸	TFPI	P10646	6/20	0.63

▸	MAOB	P27338	1/20	0.63

▸	KDM5A	P29375	1/20	0.63

▸	KDM1B	Q8NB78	1/20	0.63

▸	EP300	Q09472	1/20	0.62

▸	HIF1A	Q16665	1/20	0.62

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
SCHEMBL29514978	0.95	KDM1A (0.64)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30607334	0.94	NPY2R (0.68)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30432635	0.92	NPY2R (0.64)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30607456	0.92	NPY2R (0.70)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30435649	0.92	NPY2R (0.68)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30712908	0.91	KDM1A (0.62)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL31182691	0.91	NPY2R (0.62)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30176452	0.90	NPY2R (0.66)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30567732	0.90	TFPI (0.64)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30176453	0.90	NPY2R (0.64)	KDM1ANPY2RNPY4RNPY5RNPY1R

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-112724239-B	Bioactive peptide with amino acid structure NKELDPVQKLFVDKIREYK and application thereof	浙江辉肽生命健康科技有限公司	2022-04-08	—	—	CN	disclosed