SCHEMBL31497329

CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=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 0.62

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	5/20	0.62

▸	KEAP1	Q14145	4/20	0.55

▸	KDM1A	O60341	2/20	0.53

▸	KISS1R	Q969F8	3/20	0.52

▸	TFPI	P10646	4/20	0.51

▸	NMUR2	Q9GZQ4	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
SCHEMBL31497351	0.95	KEAP1 (0.60)	CALCRLKEAP1KDM1AKISS1RTFPI
SCHEMBL31497328	0.88	KEAP1 (0.52)	CALCRLKEAP1KDM1AKISS1RNMUR2
SCHEMBL31497333	0.87	CALCRL (0.52)	CALCRLKEAP1KISS1RTFPI
SCHEMBL31497340	0.87	KEAP1 (0.54)	CALCRLKEAP1KISS1RNMUR2
SCHEMBL31497335	0.85	KEAP1 (0.55)	CALCRLKEAP1KISS1RNMUR2
SCHEMBL31182919	0.85	KEAP1 (0.54)	CALCRLKEAP1
SCHEMBL30567723	0.85	KDM1A (0.58)	CALCRLKEAP1KDM1A
SCHEMBL31497394	0.85	BACE1 (0.58)	CALCRLTFPI
SCHEMBL34460905	0.84	NMUR2 (0.58)	NMUR2
SCHEMBL8441486	0.84	KDM1A (0.54)	KDM1AKISS1RTFPINMUR2

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