SCHEMBL29679971

CC(C)C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	8/20	0.60

▸	OPRM1	P35372	4/20	0.60

▸	OPRK1	P41145	2/20	0.60

▸	NMUR2	Q9GZQ4	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
SCHEMBL29679890	0.93	OPRM1 (0.63)	OPRD1OPRM1OPRK1
SCHEMBL30528331	0.86	OPRD1 (0.54)	OPRD1OPRM1OPRK1NMUR2
SCHEMBL18911388	0.86	OPRD1 (0.60)	OPRD1OPRM1OPRK1NMUR2
SCHEMBL18911387	0.86	OPRD1 (0.60)	OPRD1OPRM1OPRK1NMUR2
SCHEMBL31232436	0.86	CALCR (0.61)	OPRD1OPRM1OPRK1
SCHEMBL31182993	0.85	OPRM1 (0.65)	OPRD1OPRM1OPRK1
SCHEMBL29949429	0.85	TFPI (0.62)	OPRD1OPRM1OPRK1
SCHEMBL29679769	0.85	OPRD1 (0.56)	OPRD1OPRM1
SCHEMBL31108641	0.84	OPRM1 (0.57)	OPRD1OPRM1
SCHEMBL30512664	0.84	OPRD1 (0.62)	OPRD1OPRM1OPRK1NMUR2

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