SCHEMBL29381722

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	AGTR2	P50052	2/20	0.50

▸	AGTR1	P30556	1/20	0.50

▸	OPRD1	P41143	3/20	0.49

▸	BACE1	P56817	4/20	0.48

▸	BACE2	Q9Y5Z0	2/20	0.48

▸	CASP3	P42574	1/20	0.48

▸	CASP7	P55210	1/20	0.48

▸	ANPEP	P15144	1/20	0.48

▸	LNPEP	Q9UIQ6	1/20	0.48

▸	CTSD	P07339	2/20	0.47

▸	ACE	P12821	2/20	0.46

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
SCHEMBL30274819	0.90	OPRD1 (0.51)	OPRD1ANPEPLNPEPCTSD
SCHEMBL30648459	0.87	GLP1R (0.52)	BACE1
SCHEMBL30670300	0.86	LNPEP (0.54)	AGTR1ANPEPLNPEPCTSDACE
SCHEMBL31618959	0.86	ACE (0.51)	BACE1CTSDACE
SCHEMBL31307241	0.86	BACE1 (0.57)	BACE1BACE2CTSD
SCHEMBL30198105	0.85	KISS1R (0.46)	OPRD1BACE1BACE2
SCHEMBL29478038	0.85	ENPEP (0.45)	OPRD1ACE
SCHEMBL31062497	0.85	OPRD1 (0.62)	OPRD1BACE1BACE2CASP3CASP7
SCHEMBL30637767	0.85	BACE1 (0.59)	BACE1BACE2CTSD
SCHEMBL28964063	0.85	BACE1 (0.59)	BACE1BACE2CTSD

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-110627896-B	Calcium chelating peptide and preparation method and application thereof	华南农业大学	2022-02-18	—	—	CN	disclosed