SCHEMBL31548694

CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	14/20	0.58

▸	CTSD	P07339	1/20	0.55

▸	GRPR	P30550	1/20	0.53

▸	BACE2	Q9Y5Z0	3/20	0.52

▸	GLP1R	P43220	2/20	0.52

▸	SCTR	P47872	1/20	0.52

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
SCHEMBL31529693	0.95	BACE1 (0.57)	BACE1CTSDGRPRBACE2GLP1R
SCHEMBL31385133	0.95	BACE1 (0.57)	BACE1CTSDGRPRBACE2GLP1R
SCHEMBL31385184	0.94	CALCR (0.56)	BACE1GLP1RSCTR
SCHEMBL30974246	0.90	BACE1 (0.47)	BACE1CTSDGRPRBACE2GLP1R
SCHEMBL29566290	0.90	GLP1R (0.60)	BACE1GLP1RSCTR
SCHEMBL31529688	0.89	BACE1 (0.63)	BACE1CTSDBACE2
SCHEMBL31529691	0.89	BACE1 (0.63)	BACE1CTSDBACE2
SCHEMBL30974323	0.88	BACE1 (0.47)	BACE1CTSDGRPRBACE2GLP1R
SCHEMBL30277905	0.88	CALCR (0.55)	BACE1GLP1RSCTR
SCHEMBL30209778	0.88	BACE1 (0.56)	BACE1CTSDBACE2GLP1RSCTR

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-119400538-B	Functional polypeptide modified nano composite magnetic bead, method for detecting beta-secretase by using functional polypeptide modified nano composite magnetic bead and application of functional polypeptide modified nano composite magnetic bead	甘肃省科学院传感技术研究所	2025-04-04	—	—	CN	claimed