SCHEMBL6515635

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2	P23975	1/20	0.69

▸	OPRM1	P35372	5/20	0.62

▸	CALCRL	Q16602	2/20	0.61

▸	REN	P00797	2/20	0.61

▸	OPRD1	P41143	1/20	0.55

▸	OPRK1	P41145	1/20	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
SCHEMBL6515614	1.00	SLC6A2 (0.69)	SLC6A2OPRM1CALCRLRENOPRD1
SCHEMBL6886178	0.96	SLC6A2 (0.72)	SLC6A2OPRM1CALCRLRENOPRD1
SCHEMBL6886172	0.96	SLC6A2 (0.72)	SLC6A2OPRM1CALCRLRENOPRD1
SCHEMBL29357182	0.95	SLC6A2 (0.63)	SLC6A2OPRM1CALCRLRENOPRD1
SCHEMBL16316739	0.94	SLC6A2 (0.63)	SLC6A2OPRM1CALCRLRENOPRD1
SCHEMBL16316788	0.94	CALCRL (0.63)	SLC6A2OPRM1CALCRLRENOPRD1
SCHEMBL30400968	0.92	CALCRL (0.63)	SLC6A2OPRM1CALCRLRENOPRD1
SCHEMBL30020377	0.92	SLC6A2 (0.68)	SLC6A2OPRM1CALCRLREN
SCHEMBL13311808	0.92	SLC6A2 (0.60)	SLC6A2OPRM1CALCRLRENOPRD1
SCHEMBL30518298	0.88	SLC6A2 (0.66)	SLC6A2OPRM1RENOPRD1OPRK1

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-20050112723-A1	Mammalian cell lines specifically deficient in O-linked glycosylation	NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT	2005-05-26	—	—	US	disclosed