SCHEMBL30262191

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

nearest known ligand 0.59

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	15/20	0.59

▸	BACE2	Q9Y5Z0	4/20	0.59

▸	CTSD	P07339	2/20	0.57

▸	KEAP1	Q14145	3/20	0.52

▸	OPRM1	P35372	1/20	0.51

▸	OPRD1	P41143	1/20	0.51

▸	OPRK1	P41145	1/20	0.51

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
SCHEMBL30712875	0.90	TFPI (0.62)	BACE1OPRM1OPRD1OPRK1
SCHEMBL29530923	0.90	OPRD1 (0.55)	OPRM1OPRD1OPRK1
SCHEMBL30906438	0.90	OPRL1 (0.55)	BACE1BACE2CTSD
SCHEMBL38658074	0.88	BACE1 (0.60)	BACE1BACE2CTSD
SCHEMBL29736133	0.88	BACE1 (0.72)	BACE1BACE2CTSD
SCHEMBL38658486	0.87	BACE1 (0.57)	BACE1BACE2CTSD
SCHEMBL30262213	0.87	OPRM1 (0.58)	BACE1BACE2CTSDOPRM1OPRD1
SCHEMBL38657805	0.86	BACE1 (0.57)	BACE1BACE2CTSDOPRK1
SCHEMBL38658250	0.86	BACE1 (0.58)	BACE1BACE2CTSD
SCHEMBL38658247	0.86	BACE1 (0.58)	BACE1BACE2CTSD

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-20230040544-A1	COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC)	SAREPTA THERAPEUTICS, INC.	2023-02-09	—	—	US	disclosed