SCHEMBL29706215

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN)[C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.45

▸	OPRD1	P41143	4/20	0.42

▸	NTSR1	P30989	2/20	0.42

▸	LNPEP	Q9UIQ6	3/20	0.41

▸	ANPEP	P15144	1/20	0.41

▸	AGTR1	P30556	1/20	0.41

▸	REN	P00797	1/20	0.41

▸	PTPN1	P18031	1/20	0.41

▸	XIAP	P98170	1/20	0.41

▸	CALCR	P30988	2/20	0.39

▸	C5AR1	P21730	1/20	0.39

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
SCHEMBL29706189	0.94	F2 (0.47)	F2OPRD1NTSR1LNPEPANPEP
SCHEMBL29706391	0.86	F2 (0.44)	F2OPRD1NTSR1LNPEPANPEP
SCHEMBL31256944	0.82	LNPEP (0.55)	NTSR1LNPEPANPEPAGTR1REN
SCHEMBL30389973	0.81	OPRD1 (0.52)	OPRD1NTSR1LNPEPANPEPREN
SCHEMBL31299911	0.80	AGTR1 (0.47)	LNPEPAGTR1RENPTPN1XIAP
SCHEMBL30542895	0.79	CTSL (0.43)	F2OPRD1CALCR
SCHEMBL29568610	0.79	XIAP (0.47)	F2NTSR1LNPEPANPEPREN
SCHEMBL31362657	0.79	NTSR2 (0.45)	F2NTSR1LNPEPANPEPREN
SCHEMBL29721111	0.78	XIAP (0.48)	NTSR1LNPEPANPEPRENXIAP
SCHEMBL22022378	0.78	F2 (0.42)	F2NTSR1PTPN1CALCR

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-114573686-A	Polypeptide containing disulfide bond and having serine protease activity inhibition function and application thereof	中国医学科学院药物研究所	2022-06-03	—	—	CN	disclosed