SCHEMBL29679668

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

nearest known ligand 0.61

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2	P23975	1/20	0.61

▸	NMUR2	Q9GZQ4	1/20	0.58

▸	NMUR1	Q9HB89	1/20	0.58

▸	OPRK1	P41145	3/20	0.57

▸	OPRM1	P35372	2/20	0.57

▸	OPRD1	P41143	2/20	0.57

▸	F2	P00734	1/20	0.56

▸	PSMB9	P28065	1/20	0.54

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
SCHEMBL11443809	0.93	SLC6A2 (0.67)	SLC6A2NMUR2NMUR1OPRM1OPRD1
SCHEMBL22620441	0.91	OPRK1 (0.61)	SLC6A2NMUR2NMUR1OPRK1OPRM1
SCHEMBL29836800	0.90	SLC6A2 (0.56)	SLC6A2NMUR2NMUR1OPRK1OPRM1
SCHEMBL31377408	0.90	SLC6A2 (0.57)	SLC6A2OPRK1OPRM1OPRD1F2
SCHEMBL29445676	0.89	SLC6A2 (0.64)	SLC6A2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29630585	0.89	SLC6A2 (0.56)	SLC6A2OPRK1OPRM1OPRD1F2
SCHEMBL1674802	0.89	NMUR2 (0.57)	SLC6A2NMUR2NMUR1OPRK1OPRM1
SCHEMBL1674805	0.89	NMUR2 (0.57)	SLC6A2NMUR2NMUR1OPRK1OPRM1
SCHEMBL1674810	0.89	OPRM1 (0.55)	SLC6A2OPRK1OPRM1OPRD1F2
SCHEMBL22400261	0.89	OPRM1 (0.55)	SLC6A2OPRK1OPRM1OPRD1F2

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-2022069704-A2	IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS	INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE)	2022-04-07	—	—	WO	disclosed