SCHEMBL29965017

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	5/20	0.57

▸	VIPR2	P41587	6/20	0.51

▸	VIPR1	P32241	4/20	0.51

▸	F2	P00734	2/20	0.49

▸	KEAP1	Q14145	1/20	0.49

▸	PTH1R	Q03431	1/20	0.47

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
SCHEMBL31182653	0.90	BACE1 (0.62)	BACE1VIPR2VIPR1PTH1R
SCHEMBL29461536	0.90	BACE1 (0.62)	BACE1VIPR2VIPR1PTH1R
SCHEMBL30903279	0.88	BACE1 (0.62)	BACE1VIPR2VIPR1
SCHEMBL31182459	0.87	GLP1R (0.56)	BACE1VIPR2VIPR1
SCHEMBL29438037	0.87	BACE1 (0.60)	BACE1VIPR2VIPR1
SCHEMBL29985919	0.87	BACE1 (0.51)	BACE1VIPR2VIPR1
SCHEMBL29686064	0.86	F2 (0.59)	BACE1VIPR2VIPR1F2
SCHEMBL29686194	0.86	F2 (0.59)	BACE1VIPR2VIPR1F2
SCHEMBL30429732	0.85	BACE1 (0.51)	BACE1
SCHEMBL30239142	0.85	BACE1 (0.58)	BACE1F2

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-115109121-A	Polypeptide specifically bound to RIPK3 and application thereof	北京伟峰益民科技有限公司	2022-09-27	—	—	CN	disclosed