SCHEMBL22817333

CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CASP1	P29466	1/20	0.39

▸	GRPR	P30550	3/20	0.37

▸	BACE1	P56817	2/20	0.37

▸	BACE2	Q9Y5Z0	2/20	0.37

▸	HRH1	P35367	4/20	0.36

▸	OPRD1	P41143	1/20	0.36

▸	CTSD	P07339	1/20	0.34

▸	SIRT2	Q8IXJ6	1/20	0.34

▸	SIRT5	Q9NXA8	1/20	0.34

▸	MAGI3	Q5TCQ9	1/20	0.33

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
SCHEMBL22817289	0.97	CASP1 (0.40)	CASP1GRPRBACE1BACE2HRH1
SCHEMBL22817362	0.97	CASP1 (0.40)	CASP1GRPRBACE1BACE2HRH1
SCHEMBL8156095	0.83	CASP1 (0.35)	CASP1GRPRBACE1BACE2HRH1
SCHEMBL30930088	0.83	FURIN (0.46)	GRPRBACE1BACE2HRH1
SCHEMBL11317714	0.83	F2 (0.41)	—
SCHEMBL11317719	0.83	F2 (0.41)	—
SCHEMBL21766788	0.82	SIRT2 (0.41)	BACE1BACE2SIRT2SIRT5
SCHEMBL30913884	0.80	BACE1 (0.40)	BACE1CTSD
SCHEMBL30913885	0.80	BACE1 (0.40)	BACE1CTSD
SCHEMBL31257083	0.80	BACE1 (0.43)	GRPRBACE1BACE2CTSDMAGI3

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-2020257745-A1	COMPOSITIONS AND METHODS USEFUL IN TREATING BRAIN DISEASES	UNIVERSITY OF KANSAS (US)	2020-12-24	—	—	WO	disclosed