SCHEMBL29797970

CC(C)C[C@H](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(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	10/20	0.53

▸	KISS1R	Q969F8	10/20	0.49

▸	CTSD	P07339	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
SCHEMBL29798083	0.97	BACE1 (0.55)	BACE1KISS1RCTSD
SCHEMBL29798218	0.94	BACE1 (0.51)	BACE1KISS1RCTSD
SCHEMBL29797999	0.93	BACE1 (0.49)	BACE1KISS1RCTSD
SCHEMBL29798193	0.92	OPRK1 (0.52)	BACE1KISS1R
SCHEMBL29654742	0.89	BACE1 (0.59)	BACE1CTSD
SCHEMBL29798016	0.89	BACE1 (0.61)	BACE1KISS1RCTSD
SCHEMBL31127562	0.88	SMN1; SMN2 (0.46)	BACE1CTSD
SCHEMBL29798007	0.88	OPRK1 (0.55)	—
SCHEMBL9751592	0.87	OPRK1 (0.45)	BACE1CTSD
SCHEMBL29798338	0.87	BACE1 (0.63)	BACE1CTSD

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