SCHEMBL29720238

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

nearest known ligand 0.57

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	14/20	0.57

▸	CTSD	P07339	1/20	0.53

▸	TFPI	P10646	1/20	0.48

▸	OPRL1	P41146	2/20	0.47

▸	FURIN	P09958	1/20	0.47

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
SCHEMBL30018311	0.96	BACE1 (0.53)	BACE1CTSDFURIN
SCHEMBL29720348	0.92	BACE1 (0.60)	BACE1CTSD
SCHEMBL30686814	0.89	BACE1 (0.53)	BACE1CTSDTFPI
SCHEMBL30019046	0.89	BACE1 (0.64)	BACE1CTSD
SCHEMBL30099625	0.87	BACE1 (0.62)	BACE1CTSDOPRL1
SCHEMBL30512642	0.86	BACE1 (0.57)	BACE1CTSDTFPIOPRL1
SCHEMBL30120725	0.85	BACE1 (0.55)	BACE1CTSD
SCHEMBL31738162	0.85	BACE1 (0.62)	BACE1TFPI
SCHEMBL31603949	0.85	BACE1 (0.64)	BACE1CTSD
SCHEMBL31730257	0.85	BACE1 (0.61)	BACE1CTSD

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-113072634-B	Cell membrane transient receptor potential C6 channel immunogenic short peptide, vaccine thereof and pharmaceutical application of vaccine to resisting ventricular fibrosis	西安交通大学	2022-07-12	—	—	CN	disclosed