SCHEMBL30343346

C[C@@H](OC(C)(C)C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O)[C@@H](C)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	PSEN1	P49768	9/20	0.36

▸	PSEN2	P49810	9/20	0.36

▸	APH1B	Q8WW43	9/20	0.36

▸	NCSTN	Q92542	9/20	0.36

▸	APH1A	Q96BI3	9/20	0.36

▸	PSENEN	Q9NZ42	9/20	0.36

▸	OPRM1	P35372	6/20	0.36

▸	OPRD1	P41143	6/20	0.36

▸	OPRK1	P41145	6/20	0.36

▸	REN	P00797	4/20	0.34

▸	NMBR	P28336	1/20	0.33

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
SCHEMBL30250211	0.97	OPRD1 (0.36)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30524338	0.97	PSEN1 (0.38)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30524340	0.97	PSEN1 (0.37)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30437554	0.96	PSEN1 (0.37)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL34461946	0.94	REN (0.39)	OPRD1REN
SCHEMBL30384193	0.93	ACE (0.37)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30863518	0.92	PSEN1 (0.39)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL34461945	0.91	REN (0.40)	OPRD1REN
SCHEMBL31002038	0.91	OPRM1 (0.38)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30437059	0.90	REN (0.39)	OPRD1REN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116120427-B	Semex lattice Synthesis method of lupeptide	浙江九洲药业股份有限公司	2024-12-10	—	—	CN	disclosed
CN-116120427-A	Synthesis method of semaglutin	浙江九洲药业股份有限公司	2023-05-16	—	—	CN	disclosed