SCHEMBL29798264

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

nearest known ligand 0.64

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	18/20	0.64

▸	CTSD	P07339	2/20	0.57

▸	BACE2	Q9Y5Z0	3/20	0.57

▸	OPRK1	P41145	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
SCHEMBL29798016	0.96	BACE1 (0.61)	BACE1CTSDBACE2
SCHEMBL29798176	0.95	BACE1 (0.65)	BACE1CTSDBACE2
SCHEMBL29798029	0.95	BACE1 (0.59)	BACE1CTSDBACE2OPRK1
SCHEMBL29680020	0.93	BACE1 (0.58)	BACE1CTSDBACE2
SCHEMBL29798074	0.92	OPRK1 (0.58)	BACE1OPRK1
SCHEMBL30512850	0.92	BACE1 (0.67)	BACE1CTSDBACE2
SCHEMBL29798338	0.91	BACE1 (0.63)	BACE1CTSDBACE2
SCHEMBL29598002	0.90	BACE1 (0.68)	BACE1CTSDBACE2
SCHEMBL30799397	0.90	OPRK1 (0.56)	BACE1CTSDOPRK1
SCHEMBL29798232	0.90	BACE1 (0.60)	BACE1CTSDBACE2OPRK1

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-20220259265-A1	Inhibitors and Use Thereof in Cancer Treatment	THE UNIVERSITY OF SYDNEY (AU)	2022-08-18	—	—	US	disclosed