SCHEMBL30588142

C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	ERBB2	P04626	1/20	0.64

▸	KISS1R	Q969F8	17/20	0.55

▸	MAGI3	Q5TCQ9	1/20	0.55

▸	BACE1	P56817	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
SCHEMBL30588170	1.00	ERBB2 (0.64)	ERBB2KISS1RMAGI3BACE1
SCHEMBL30039275	0.88	ERBB2 (0.64)	ERBB2KISS1RMAGI3BACE1
SCHEMBL29425581	0.88	KISS1R (0.59)	KISS1R
SCHEMBL29425599	0.87	KISS1R (0.57)	ERBB2KISS1R
SCHEMBL30974407	0.87	ERBB2 (0.57)	ERBB2KISS1R
SCHEMBL31182787	0.86	GLP1R (0.65)	KISS1R
SCHEMBL29872185	0.86	KISS1R (0.58)	ERBB2KISS1R
SCHEMBL31598489	0.86	IL23R (0.59)	ERBB2KISS1RMAGI3
SCHEMBL31497361	0.85	ERBB2 (0.72)	ERBB2KISS1RMAGI3
SCHEMBL31307895	0.85	ERBB2 (0.54)	ERBB2MAGI3

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
CN-116655735-A	Agaricus bisporus umami peptide and prediction and screening method thereof	上海交通大学	2023-08-29	—	—	CN	disclosed