SCHEMBL30273399

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	14/20	0.52

▸	CTSD	P07339	2/20	0.52

▸	BACE2	Q9Y5Z0	3/20	0.51

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
SCHEMBL18047565	0.89	OPRM1 (0.54)	BACE1CTSDBACE2
SCHEMBL31575679	0.88	BACE1 (0.67)	BACE1CTSDBACE2
SCHEMBL29680020	0.88	BACE1 (0.58)	BACE1CTSDBACE2
SCHEMBL30239118	0.88	BACE1 (0.55)	BACE1CTSDBACE2
SCHEMBL29496483	0.87	MMP2 (0.54)	BACE1CTSDBACE2
SCHEMBL29904560	0.87	MMP2 (0.54)	BACE1CTSDBACE2
SCHEMBL29496478	0.87	MMP2 (0.54)	BACE1CTSDBACE2
SCHEMBL9488073	0.87	CTSD (0.54)	BACE1CTSDBACE2
SCHEMBL2515519	0.87	CTSD (0.54)	BACE1CTSDBACE2
SCHEMBL2515525	0.87	CTSD (0.54)	BACE1CTSDBACE2

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-115836052-A	Topical formulations of (1S) -1-phenyl-2-pyridin-2-ylethylamine	拜尔哈文制药股份有限公司	2023-03-21	—	—	CN	disclosed