SCHEMBL31341165

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

nearest known ligand 0.46

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	17/20	0.46

▸	BACE2	Q9Y5Z0	4/20	0.46

▸	CTSD	P07339	4/20	0.45

▸	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

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
SCHEMBL31341151	0.88	BACE1 (0.56)	BACE1BACE2CTSD
SCHEMBL30881180	0.87	FOLH1 (0.52)	BACE1BACE2CTSDGRIN2DGRIN3B
SCHEMBL30099307	0.86	GRPR (0.46)	BACE1BACE2
SCHEMBL31341152	0.86	FOLH1 (0.53)	BACE1BACE2CTSD
SCHEMBL31665972	0.84	BACE1 (0.46)	BACE1BACE2CTSD
SCHEMBL31480017	0.84	BACE1 (0.51)	BACE1BACE2CTSDGRIN2DGRIN3B
SCHEMBL31341098	0.83	BACE1 (0.46)	BACE1BACE2CTSD
SCHEMBL7705051	0.83	BACE1 (0.45)	BACE1BACE2CTSD
SCHEMBL7705045	0.83	BACE1 (0.45)	BACE1BACE2CTSD
SCHEMBL29591820	0.83	BACE1 (0.50)	BACE1BACE2CTSD

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
US-12162959-B2	Cyclic peptide for treating cancer	SAINT LEO UNIVERSITY (US)	2024-12-10	—	—	US	disclosed