SCHEMBL2039240

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	20/20	0.68

▸	NTSR2	O95665	19/20	0.68

▸	SORT1	Q99523	16/20	0.68

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
SCHEMBL29967012	1.00	NTSR1 (0.68)	NTSR1NTSR2SORT1
SCHEMBL30921554	0.95	SLC6A2 (0.67)	NTSR1NTSR2SORT1
SCHEMBL2039247	0.95	NTSR1 (0.69)	NTSR1NTSR2SORT1
SCHEMBL29860392	0.94	NTSR1 (0.64)	NTSR1NTSR2SORT1
SCHEMBL30637760	0.94	NTSR1 (0.64)	NTSR1NTSR2SORT1
SCHEMBL19220695	0.93	NTSR1 (0.63)	NTSR1NTSR2SORT1
SCHEMBL29580406	0.93	NTSR1 (0.63)	NTSR1NTSR2SORT1
SCHEMBL30092566	0.90	NTSR1 (0.59)	NTSR1NTSR2SORT1
SCHEMBL30584176	0.90	NTSR1 (0.66)	NTSR1NTSR2SORT1
SCHEMBL31694383	0.90	NTSR1 (0.68)	NTSR1NTSR2SORT1

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-2011071799-A2	PURIFICATION OF BIVALIRUDIN	DR. REDDY'S LABORATORIES LTD. (IN)	2011-06-16	—	—	WO	disclosed