SCHEMBL7432245

CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)Cn1nnnc1-c1ccccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CASP1	P29466	2/20	0.42

▸	REN	P00797	2/20	0.38

▸	BACE1	P56817	3/20	0.36

▸	CASP3	P42574	2/20	0.35

▸	CASP8	Q14790	2/20	0.35

▸	CASP7	P55210	1/20	0.34

▸	CCKBR	P32239	1/20	0.34

▸	HRH1	P35367	1/20	0.34

▸	KLK5	Q9Y337	1/20	0.34

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
SCHEMBL7437728	0.90	CASP1 (0.49)	CASP1CASP3CASP8CASP7HRH1
SCHEMBL7435774	0.90	CASP1 (0.41)	CASP1RENBACE1CCKBR
SCHEMBL7440137	0.89	CASP1 (0.42)	CASP1RENBACE1CASP3CASP8
SCHEMBL7429213	0.87	CASP1 (0.42)	CASP1RENBACE1
SCHEMBL7439400	0.84	CASP1 (0.48)	CASP1CASP3CASP8CASP7HRH1
SCHEMBL7438695	0.83	CASP1 (0.46)	CASP1CASP3CASP8CASP7HRH1
SCHEMBL7427145	0.81	CASP1 (0.49)	CASP1CASP3CASP8CASP7HRH1
SCHEMBL7427132	0.81	CASP1 (0.51)	CASP1RENBACE1CASP3CASP8
SCHEMBL7427023	0.80	CASP1 (0.41)	CASP1RENBACE1CASP3CCKBR
SCHEMBL7436591	0.80	CASP1 (0.41)	CASP1RENBACE1CASP3HRH1

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-0761680-A2	Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity	ONO PHARMACEUTICAL CO., LTD. (JP)	1997-03-12	—	—	EP	disclosed