SCHEMBL31497394

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(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	17/20	0.58

▸	BACE2	Q9Y5Z0	4/20	0.58

▸	ERBB2	P04626	1/20	0.57

▸	CTSD	P07339	1/20	0.55

▸	TFPI	P10646	1/20	0.52

▸	CALCRL	Q16602	1/20	0.50

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
SCHEMBL31497390	0.98	BACE1 (0.60)	BACE1BACE2ERBB2CTSDTFPI
SCHEMBL31497343	0.98	BACE1 (0.60)	BACE1BACE2ERBB2CTSDCALCRL
SCHEMBL31497332	0.98	BACE1 (0.55)	BACE1BACE2ERBB2CTSDTFPI
SCHEMBL31497356	0.94	BACE1 (0.65)	BACE1BACE2CTSDTFPI
SCHEMBL31497383	0.94	BACE1 (0.65)	BACE1BACE2CTSDTFPI
SCHEMBL31497331	0.93	BACE1 (0.67)	BACE1BACE2CTSDTFPI
SCHEMBL31497339	0.92	BACE1 (0.57)	BACE1BACE2ERBB2TFPI
SCHEMBL31497324	0.87	ERBB2 (0.48)	BACE1BACE2ERBB2CTSD
SCHEMBL31497359	0.86	SIRT2 (0.50)	BACE1BACE2ERBB2CTSDTFPI
SCHEMBL31497319	0.85	SIRT2 (0.47)	BACE1BACE2ERBB2CTSD

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