SCHEMBL30978826

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

nearest known ligand 0.68

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.57

▸	NPY4R	P50391	8/20	0.57

▸	NPY5R	Q15761	8/20	0.57

▸	NPY1R	P25929	6/20	0.57

▸	EPHA2	P29317	2/20	0.57

▸	CALCR	P30988	3/20	0.55

▸	KDM1A	O60341	2/20	0.55

▸	MAOB	P27338	1/20	0.55

▸	KDM5A	P29375	1/20	0.55

▸	KDM1B	Q8NB78	1/20	0.55

▸	TFPI	P10646	2/20	0.53

▸	F2	P00734	1/20	0.53

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
SCHEMBL30844362	0.90	EPHA2 (0.63)	NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL30844318	0.90	EPHA2 (0.63)	NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL30844294	0.90	EPHA2 (0.63)	NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL30844258	0.90	EPHA2 (0.63)	NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL30978824	0.90	EPHA2 (0.52)	NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL31307276	0.89	NTSR1 (0.60)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30844350	0.89	KDM1A (0.62)	NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL29489266	0.88	TFPI (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30296801	0.88	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182587	0.88	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RCALCR

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-118063583-A	Casein antibacterial peptide or composition and application thereof	中国科学院大连化学物理研究所	2024-05-24	—	—	CN	disclosed
CN-118063583-A	Casein antibacterial peptide or composition and application thereof	中国科学院大连化学物理研究所	2024-05-24	—	—	CN	disclosed