SCHEMBL30974612

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

nearest known ligand 0.51

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	14/20	0.51

▸	BACE2	Q9Y5Z0	4/20	0.51

▸	CTSD	P07339	2/20	0.49

▸	GLP1R	P43220	2/20	0.47

▸	SCTR	P47872	1/20	0.47

▸	GRPR	P30550	1/20	0.46

▸	F2	P00734	2/20	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
SCHEMBL30974323	0.97	BACE1 (0.47)	BACE1BACE2CTSDGLP1RSCTR
SCHEMBL30974246	0.97	BACE1 (0.47)	BACE1BACE2CTSDGLP1RSCTR
SCHEMBL30974400	0.97	GLP1R (0.49)	BACE1BACE2CTSDGLP1RSCTR
SCHEMBL30512529	0.90	GLP1R (0.48)	GLP1RSCTR
SCHEMBL30218810	0.88	CALCR (0.48)	BACE1GLP1RSCTRF2
SCHEMBL30184234	0.88	CALCR (0.49)	BACE1CTSDGLP1RSCTRGRPR
SCHEMBL30168721	0.87	F2 (0.57)	BACE1GLP1RF2
SCHEMBL30350141	0.87	GLP1R (0.54)	BACE1BACE2GLP1RSCTRF2
SCHEMBL30865070	0.87	GLP1R (0.47)	BACE1GLP1RSCTRGRPRF2
SCHEMBL30865080	0.87	F2 (0.49)	BACE1GLP1RSCTRF2

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
WO-2024132726-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE	UNIWERSYTET GDANSKI (PL)	2024-06-27	—	—	WO	disclosed