SCHEMBL29646562

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

nearest known ligand 0.58

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	8/20	0.58

▸	ENPEP	Q07075	5/20	0.46

▸	GRIN2D	O15399	1/20	0.44

▸	GRIN3B	O60391	1/20	0.44

▸	GRIN1	Q05586	1/20	0.44

▸	GRIN2A	Q12879	1/20	0.44

▸	GRIN2B	Q13224	1/20	0.44

▸	GRIN2C	Q14957	1/20	0.44

▸	GRIN3A	Q8TCU5	1/20	0.44

▸	CCNA2	P20248	2/20	0.44

▸	CDK2	P24941	2/20	0.44

▸	CCNA1	P78396	2/20	0.44

▸	BACE2	Q9Y5Z0	2/20	0.44

▸	CTSD	P07339	1/20	0.43

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
SCHEMBL24725397	0.90	BACE1 (0.52)	BACE1ENPEPGRIN2DGRIN3BGRIN1
SCHEMBL30242230	0.87	BACE1 (0.57)	BACE1ENPEPGRIN2DGRIN3BGRIN1
SCHEMBL29696106	0.87	BACE1 (0.58)	BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8983878	0.87	BACE1 (0.54)	BACE1BACE2CTSD
SCHEMBL8983897	0.87	BACE1 (0.54)	BACE1BACE2CTSD
SCHEMBL31134498	0.87	ENPEP (0.57)	BACE1ENPEPGRIN2DGRIN3BGRIN1
SCHEMBL29556987	0.87	NTSR2 (0.51)	BACE1ENPEPGRIN2DGRIN3BGRIN1
SCHEMBL30163257	0.87	ENPEP (0.51)	BACE1ENPEPBACE2CTSD
SCHEMBL25083892	0.86	BACE1 (0.49)	BACE1ENPEPGRIN2DGRIN3BGRIN1
SCHEMBL24724812	0.86	BACE1 (0.47)	BACE1ENPEPGRIN2DGRIN3BGRIN1

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-112707961-B	Shellfish antibacterial peptide P-AMP153 and application thereof	中国科学院南海海洋研究所	2022-06-10	—	—	CN	claimed
CN-112707961-B	Shellfish antibacterial peptide P-AMP153 and application thereof	中国科学院南海海洋研究所	2022-06-10	—	—	CN	disclosed