SCHEMBL29973288

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	14/20	0.65

▸	BACE2	Q9Y5Z0	5/20	0.65

▸	PTPN1	P18031	4/20	0.63

▸	NPY1R	P25929	1/20	0.56

▸	NPY2R	P49146	1/20	0.56

▸	NPY4R	P50391	1/20	0.56

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
SCHEMBL30274640	0.92	BACE1 (0.56)	BACE1BACE2PTPN1NPY1RNPY2R
SCHEMBL30799944	0.92	PTPN1 (0.69)	BACE1BACE2PTPN1
SCHEMBL31696295	0.92	BACE1 (0.61)	BACE1BACE2PTPN1NPY1RNPY2R
SCHEMBL6516934	0.91	BACE1 (0.57)	BACE1BACE2PTPN1NPY1RNPY2R
SCHEMBL30799825	0.91	BACE1 (0.60)	BACE1BACE2PTPN1NPY1RNPY2R
SCHEMBL8329221	0.90	BACE1 (0.58)	BACE1BACE2PTPN1NPY1RNPY2R
SCHEMBL29616324	0.90	BACE1 (0.58)	BACE1BACE2PTPN1NPY1RNPY2R
SCHEMBL8329224	0.90	BACE1 (0.58)	BACE1BACE2PTPN1NPY1RNPY2R
SCHEMBL6514154	0.89	BACE1 (0.63)	BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL8332189	0.89	OPRD1 (0.58)	BACE1BACE2NPY1RNPY2RNPY4R

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