SCHEMBL30996905

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

nearest known ligand 0.54

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	2/20	0.54

▸	NTSR2	O95665	1/20	0.45

▸	NTSR1	P30989	1/20	0.45

▸	CCNA2	P20248	2/20	0.45

▸	CDK2	P24941	2/20	0.45

▸	CCNA1	P78396	2/20	0.45

▸	CTSD	P07339	2/20	0.43

▸	FURIN	P09958	1/20	0.41

▸	PCSK6	P29122	1/20	0.41

▸	TLR2	O60603	2/20	0.41

▸	FNTA	P49354	4/20	0.40

▸	FNTB	P49356	4/20	0.40

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
SCHEMBL31663474	0.93	BACE1 (0.51)	BACE1NTSR2NTSR1CCNA2CDK2
SCHEMBL30736286	0.92	BACE1 (0.49)	BACE1NTSR2NTSR1CCNA2CDK2
SCHEMBL29849735	0.92	BACE1 (0.51)	BACE1NTSR2NTSR1CCNA2CDK2
SCHEMBL29696106	0.87	BACE1 (0.58)	BACE1NTSR2NTSR1CCNA2CDK2
SCHEMBL24725396	0.85	BACE1 (0.47)	BACE1NTSR2NTSR1CCNA2CDK2
SCHEMBL24725397	0.85	BACE1 (0.52)	BACE1NTSR2NTSR1CCNA2CDK2
SCHEMBL29473339	0.85	NTSR2 (0.56)	NTSR2NTSR1CCNA2CDK2CCNA1
SCHEMBL29473337	0.85	NTSR2 (0.56)	NTSR2NTSR1CCNA2CDK2CCNA1
SCHEMBL29473338	0.85	NTSR2 (0.56)	NTSR2NTSR1CCNA2CDK2CCNA1
SCHEMBL25083892	0.84	BACE1 (0.49)	BACE1NTSR2NTSR1CCNA2CDK2

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-118165078-A	Bacillus subtilis source antibacterial peptide NDYT-8 and application thereof	华南理工大学	2024-06-11	—	—	CN	disclosed