SCHEMBL29798083

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](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	17/20	0.55

▸	CTSD	P07339	2/20	0.50

▸	BACE2	Q9Y5Z0	2/20	0.49

▸	KISS1R	Q969F8	2/20	0.49

▸	OPRK1	P41145	1/20	0.48

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
SCHEMBL29797970	0.97	BACE1 (0.53)	BACE1CTSDKISS1R
SCHEMBL29798218	0.96	BACE1 (0.51)	BACE1CTSDBACE2KISS1ROPRK1
SCHEMBL29798193	0.94	OPRK1 (0.52)	BACE1KISS1ROPRK1
SCHEMBL29798007	0.91	OPRK1 (0.55)	OPRK1
SCHEMBL29654742	0.91	BACE1 (0.59)	BACE1CTSDBACE2
SCHEMBL29797999	0.90	BACE1 (0.49)	BACE1CTSDKISS1R
SCHEMBL31127562	0.90	SMN1; SMN2 (0.46)	BACE1CTSDBACE2OPRK1
SCHEMBL9751592	0.89	OPRK1 (0.45)	BACE1CTSDOPRK1
SCHEMBL9751589	0.89	OPRK1 (0.45)	BACE1CTSDOPRK1
SCHEMBL29798185	0.89	OPRK1 (0.54)	KISS1ROPRK1

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