SCHEMBL14401170

C=C(CCC(=O)O)N1CC[C@H](c2ccc3ccccc3c2)[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](CO)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	11/20	0.35

▸	HRH1	P35367	3/20	0.35

▸	CASP3	P42574	2/20	0.34

▸	CASP2	P42575	2/20	0.34

▸	CASP1	P29466	2/20	0.33

▸	CTSD	P07339	2/20	0.33

▸	CTSE	P14091	1/20	0.33

▸	CAPN1	P07384	2/20	0.33

▸	CTSB	P07858	1/20	0.32

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
SCHEMBL14401098	0.83	CTSB (0.40)	BACE1HRH1CASP3CASP2CASP1
SCHEMBL14401071	0.67	MMP9 (0.49)	CTSDCTSB
SCHEMBL2906893	0.66	CTSB (0.39)	BACE1HRH1CASP1CTSB
SCHEMBL13125721	0.64	HRH1 (0.38)	BACE1HRH1CTSDCTSB
SCHEMBL13125899	0.62	CTSB (0.47)	BACE1HRH1CASP1CTSDCTSB
SCHEMBL13125556	0.61	CASP3 (0.46)	HRH1CASP3CASP2
SCHEMBL14401100	0.61	MMP9 (0.52)	BACE1HRH1CTSB
SCHEMBL13209298	0.60	MMP9 (0.45)	BACE1HRH1CASP1CTSD
SCHEMBL22882705	0.59	SMN1; SMN2 (0.50)	—
SCHEMBL22882707	0.59	SMN1; SMN2 (0.50)	—

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
EP-1845106-A1	Low molecular weight peptide derivatives as inhibitors of the laminin/nidogen interaction	Sanofi-Aventis Deutschland GmbH (DE)	2007-10-17	—	—	EP	disclosed