SCHEMBL5579658

CCCCS(=O)(=O)C[C@@H](NC(=O)c1cc(C)n[nH]1)C(=O)O[C@H](CNCc1cccc(C(F)(F)F)c1)[C@@H](N)Cc1cc(F)cc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	20/20	0.53

▸	BACE1	P56817	20/20	0.53

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
SCHEMBL5579534	0.94	CTSB (0.60)	CTSBBACE1
SCHEMBL5579970	0.90	CTSB (0.51)	CTSBBACE1
SCHEMBL5579833	0.88	BACE1 (0.41)	CTSBBACE1
SCHEMBL14348119	0.84	CTSB (0.74)	CTSBBACE1
SCHEMBL5579594	0.84	CTSB (0.54)	CTSBBACE1
SCHEMBL5579806	0.84	CTSB (0.54)	CTSBBACE1
SCHEMBL5579801	0.84	CTSB (0.54)	CTSBBACE1
SCHEMBL5140515	0.83	BACE1 (0.40)	CTSBBACE1
SCHEMBL5579460	0.83	BACE1 (0.48)	CTSBBACE1
SCHEMBL5579826	0.83	BACE1 (0.48)	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