SCHEMBL31497361

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

nearest known ligand 0.72

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	ERBB2	P04626	1/20	0.72

▸	MAGI3	Q5TCQ9	1/20	0.63

▸	KISS1R	Q969F8	13/20	0.57

▸	IL23R	Q5VWK5	4/20	0.57

▸	CCKBR	P32239	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
SCHEMBL7328007	0.93	ERBB2 (0.69)	ERBB2MAGI3KISS1RIL23RCCKBR
SCHEMBL31497332	0.87	BACE1 (0.55)	ERBB2KISS1R
SCHEMBL24736655	0.86	ERBB2 (0.75)	ERBB2MAGI3KISS1RIL23RCCKBR
SCHEMBL30588170	0.85	ERBB2 (0.64)	ERBB2MAGI3KISS1R
SCHEMBL30588142	0.85	ERBB2 (0.64)	ERBB2MAGI3KISS1R
SCHEMBL31497394	0.85	BACE1 (0.58)	ERBB2
SCHEMBL30254345	0.85	ERBB2 (0.60)	ERBB2MAGI3KISS1RIL23R
SCHEMBL1369580	0.85	KISS1R (0.66)	ERBB2KISS1R
SCHEMBL8182763	0.84	ERBB2 (0.67)	ERBB2MAGI3KISS1RIL23RCCKBR
SCHEMBL1651126	0.84	GLP1R (0.70)	KISS1RIL23RCCKBR

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
EP-4545551-A1	PEPTIDE INHIBITOR AND USE THEREOF	Chengdu Brilliant Inspiration Biotherapeutics Co., Ltd (CN)	2025-04-30	—	—	EP	disclosed