SCHEMBL29597397

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	5/20	0.42

▸	OPRD1	P41143	5/20	0.42

▸	TASP1	Q9H6P5	1/20	0.42

▸	PTGS1	P23219	1/20	0.41

▸	GSTK1	Q9Y2Q3	1/20	0.41

▸	NOD1	Q9Y239	1/20	0.41

▸	OPRK1	P41145	3/20	0.40

▸	KEAP1	Q14145	1/20	0.39

▸	NMT2	O60551	1/20	0.39

▸	NMT1	P30419	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
SCHEMBL29353451	0.91	FOLH1 (0.44)	OPRM1OPRD1TASP1NOD1OPRK1
SCHEMBL29772029	0.84	OPRM1 (0.46)	OPRM1OPRD1TASP1OPRK1KEAP1
SCHEMBL29360974	0.84	OPRM1 (0.46)	OPRM1OPRD1TASP1OPRK1KEAP1
SCHEMBL10646369	0.84	NOD1 (0.49)	OPRM1OPRD1TASP1PTGS1GSTK1
SCHEMBL10646360	0.84	NOD1 (0.49)	OPRM1OPRD1TASP1PTGS1GSTK1
SCHEMBL31487991	0.84	OPRM1 (0.47)	OPRM1OPRD1TASP1NOD1OPRK1
SCHEMBL34433397	0.83	ACE (0.47)	OPRM1OPRD1PTGS1GSTK1NOD1
SCHEMBL30671950	0.83	ACE (0.49)	OPRM1OPRD1PTGS1GSTK1NOD1
SCHEMBL30720462	0.83	OPRM1 (0.42)	OPRM1OPRD1TASP1OPRK1KEAP1
SCHEMBL29493327	0.83	OPRM1 (0.45)	OPRM1OPRD1TASP1OPRK1KEAP1

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-114437233-A	Directional synthesis method of polypeptide dimer	湖北健翔生物制药有限公司	2022-05-06	—	—	CN	disclosed