SCHEMBL7201997

CON(C(N)=O)c1ccc([C@]2(C(=O)O)CCCN2C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	2/20	0.35

▸	TACR3	P29371	4/20	0.34

▸	CCR1	P32246	1/20	0.34

▸	CCKBR	P32239	3/20	0.34

▸	UBE2N	P61088	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
SCHEMBL7201999	0.91	CTSL (0.38)	BACE1CCR1
SCHEMBL7198167	0.87	CTSL (0.38)	BACE1CCR1
SCHEMBL7199074	0.85	CCKBR (0.36)	BACE1CCR1CCKBR
SCHEMBL7203259	0.85	ITGB1 (0.36)	BACE1CCR1
SCHEMBL7197696	0.79	ITGB1 (0.37)	BACE1CCR1
SCHEMBL7200493	0.78	ITGB1 (0.43)	BACE1CCR1
SCHEMBL7197725	0.75	ITGB1 (0.41)	BACE1CCR1
SCHEMBL7198903	0.75	CTSL (0.39)	BACE1CCR1
SCHEMBL7199086	0.75	ITGB1 (0.40)	BACE1CCR1
SCHEMBL7198890	0.73	CTSL (0.38)	BACE1

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-6596687-B1	For treatment of many inflammatory and autoimmune diseases	BIOGEN, INC.	2003-07-22	—	—	US	claimed