SCHEMBL5579916

CCCC(CCC)S(=O)(=O)CC(NC(=O)O[C@@H]1CCN(C(C)=O)C1)C(=O)O[C@H](CNCc1cccc(CC)c1)[C@@H](N)Cc1cc(F)cc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	20/20	0.55

▸	BACE1	P56817	20/20	0.55

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
SCHEMBL5579918	1.00	CTSB (0.55)	CTSBBACE1
SCHEMBL5579553	1.00	CTSB (0.55)	CTSBBACE1
SCHEMBL5119827	0.97	CTSB (0.55)	CTSBBACE1
SCHEMBL5119822	0.97	CTSB (0.55)	CTSBBACE1
SCHEMBL5126856	0.91	CTSB (0.54)	CTSBBACE1
SCHEMBL5126859	0.91	CTSB (0.54)	CTSBBACE1
SCHEMBL5579497	0.90	BACE1 (0.56)	CTSBBACE1
SCHEMBL5579499	0.90	BACE1 (0.56)	CTSBBACE1
SCHEMBL5579747	0.90	CTSB (0.55)	CTSBBACE1
SCHEMBL5579731	0.89	CTSB (0.55)	CTSBBACE1

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
US-7294642-B2	1,3-Diamino-2-hydroxypropane pro-drug derivatives	ELAN PHARMACEUTICALS, INC. (US)	2007-11-13	—	—	US	claimed