SCHEMBL29398783

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	7/20	0.57

▸	OPRD1	P41143	7/20	0.57

▸	SLC6A2	P23975	1/20	0.54

▸	CALCRL	Q16602	3/20	0.53

▸	NMUR2	Q9GZQ4	2/20	0.52

▸	NMUR1	Q9HB89	2/20	0.52

▸	F2	P00734	2/20	0.52

▸	OPRK1	P41145	1/20	0.52

▸	KEAP1	Q14145	2/20	0.52

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
SCHEMBL11650974	0.87	OPRD1 (0.62)	OPRM1OPRD1OPRK1
SCHEMBL29856042	0.87	RAMP3 (0.56)	OPRM1OPRD1SLC6A2NMUR2NMUR1
SCHEMBL29695624	0.87	SLC6A2 (0.59)	OPRM1OPRD1SLC6A2CALCRLOPRK1
SCHEMBL30906513	0.87	RAMP3 (0.55)	OPRM1OPRD1NMUR2NMUR1F2
SCHEMBL30625026	0.87	OPRM1 (0.64)	OPRM1OPRD1SLC6A2NMUR2NMUR1
SCHEMBL29376302	0.87	OPRM1 (0.64)	OPRM1OPRD1SLC6A2NMUR2NMUR1
SCHEMBL29398364	0.87	F2 (0.55)	OPRM1OPRD1SLC6A2CALCRLF2
SCHEMBL11650961	0.86	OPRD1 (0.60)	OPRM1OPRD1OPRK1KEAP1
SCHEMBL30726587	0.86	RAMP3 (0.61)	OPRM1OPRD1NMUR2NMUR1F2
SCHEMBL31000918	0.86	RAMP3 (0.58)	OPRM1OPRD1NMUR2NMUR1F2

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
EP-1812062-B1	ANTI-ADDL ANTIBODIES AND USES THEREOF	MERCK SHARP & DOHME (US)	2022-03-09	—	—	EP	disclosed