SCHEMBL30839332

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

nearest known ligand 0.54

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	11/20	0.54

▸	CCKAR	P32238	1/20	0.49

▸	CCKBR	P32239	1/20	0.49

▸	BACE2	Q9Y5Z0	2/20	0.49

▸	CTSD	P07339	2/20	0.48

▸	LTA4H	P09960	1/20	0.47

▸	FNTA	P49354	1/20	0.46

▸	FNTB	P49356	1/20	0.46

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
SCHEMBL30839330	0.95	CCKAR (0.51)	BACE1CCKARCCKBRCTSDFNTA
SCHEMBL30839325	0.95	CCKAR (0.51)	BACE1CCKARCCKBRCTSDFNTA
SCHEMBL8716662	0.88	CCKBR (0.53)	BACE1CCKARCCKBR
SCHEMBL8716659	0.88	CCKBR (0.53)	BACE1CCKARCCKBR
SCHEMBL30987807	0.83	BACE1 (0.53)	BACE1BACE2CTSD
SCHEMBL30604635	0.83	LTA4H (0.52)	BACE1CCKARCCKBRLTA4HFNTA
SCHEMBL9751908	0.83	BACE1 (0.59)	BACE1CTSD
SCHEMBL9751910	0.83	BACE1 (0.59)	BACE1CTSD
SCHEMBL30209471	0.83	OPRM1 (0.54)	CCKARCCKBR
SCHEMBL29489259	0.83	LTA4H (0.60)	LTA4HFNTAFNTB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-117820429-B	Snakehead source active peptide with INOS inhibition effect	中国水产科学研究院南海水产研究所	2024-06-18	—	—	CN	disclosed
CN-117820429-A	Snakehead source active peptide with INOS inhibition effect	中国水产科学研究院南海水产研究所	2024-04-05	—	—	CN	disclosed