SCHEMBL29973144

CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.57

▸	NPY4R	P50391	7/20	0.57

▸	NPY5R	Q15761	7/20	0.57

▸	NPY1R	P25929	5/20	0.57

▸	EPHA2	P29317	2/20	0.56

▸	KDM1A	O60341	3/20	0.56

▸	MAOB	P27338	1/20	0.56

▸	KDM5A	P29375	1/20	0.56

▸	KDM1B	Q8NB78	1/20	0.56

▸	CXCR4	P61073	2/20	0.55

▸	TFPI	P10646	3/20	0.55

▸	CXCL8	P10145	1/20	0.54

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
SCHEMBL31182743	0.89	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30415450	0.88	CXCR4 (0.60)	NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL30495624	0.87	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL17980306	0.87	OPRM1 (0.54)	NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL5163482	0.87	NMUR2 (0.60)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31415954	0.87	KDM1A (0.56)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30176214	0.87	KDM1A (0.60)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL17980318	0.87	KDM1A (0.55)	NPY1REPHA2KDM1AMAOBKDM5A
SCHEMBL31182587	0.86	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29903316	0.86	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1REPHA2

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
EP-4067370-A1	HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS	Yu, Chongxi (US)	2022-10-05	—	—	EP	disclosed