SCHEMBL30658359

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

nearest known ligand 0.61

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	6/20	0.61

▸	OPRD1	P41143	6/20	0.61

▸	OPRK1	P41145	2/20	0.60

▸	BACE1	P56817	10/20	0.55

▸	BACE2	Q9Y5Z0	1/20	0.53

▸	CTSD	P07339	1/20	0.53

▸	CTSB	P07858	1/20	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
SCHEMBL30658229	0.97	OPRM1 (0.58)	OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL29602768	0.87	OPRM1 (0.62)	OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL29415987	0.85	BACE1 (0.56)	OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL29416121	0.85	BACE1 (0.56)	OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL30607221	0.85	BACE1 (0.55)	OPRM1OPRD1OPRK1BACE1CTSD
SCHEMBL31474354	0.84	BACE1 (0.69)	BACE1BACE2CTSD
SCHEMBL30872253	0.84	BACE1 (0.65)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL29773087	0.83	OPRD1 (0.59)	OPRM1OPRD1OPRK1BACE1
SCHEMBL29461959	0.83	OPRM1 (0.62)	OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL30619402	0.83	OPRM1 (0.58)	OPRM1OPRD1OPRK1BACE1BACE2

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-11753627-B2	Dengue tetravalent vaccine containing a common 30 nucleotide deletion in the 3′-UTR of dengue types 1,2,3, and 4, or antigenic chimeric dengue viruses 1,2,3, and 4	THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US)	2023-09-12	—	—	US	disclosed