SCHEMBL29680086

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[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)O

nearest known ligand 0.56

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	8/20	0.55

▸	OPRM1	P35372	3/20	0.55

▸	OPRK1	P41145	2/20	0.55

▸	F2	P00734	1/20	0.54

▸	NTSR1	P30989	1/20	0.53

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
SCHEMBL29679774	0.97	OPRD1 (0.57)	OPRD1OPRM1OPRK1
SCHEMBL29679908	0.96	OPRD1 (0.57)	OPRD1OPRM1OPRK1NTSR1
SCHEMBL29679769	0.92	OPRD1 (0.56)	OPRD1OPRM1NTSR1
SCHEMBL29679653	0.92	OPRD1 (0.56)	OPRD1OPRM1NTSR1
SCHEMBL29679766	0.91	NPY2R (0.59)	OPRD1NTSR1
SCHEMBL29679546	0.89	OPRD1 (0.60)	OPRD1OPRM1F2
SCHEMBL30899149	0.89	OPRD1 (0.59)	OPRD1OPRM1F2
SCHEMBL31688332	0.86	OPRM1 (0.61)	OPRD1OPRM1OPRK1F2
SCHEMBL30899147	0.86	NMUR2 (0.59)	OPRD1OPRM1F2
SCHEMBL31683333	0.86	CALCR (0.60)	OPRD1OPRM1OPRK1F2

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 2 patents. 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	claimed
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