SCHEMBL30163225

CC(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	4/20	0.54

▸	OPRM1	P35372	3/20	0.54

▸	OPRD1	P41143	3/20	0.54

▸	OPRK1	P41145	2/20	0.54

▸	NPY1R	P25929	1/20	0.52

▸	SLC6A2	P23975	1/20	0.52

▸	F2	P00734	4/20	0.51

▸	MAPK8	P45983	1/20	0.51

▸	MAPK9	P45984	1/20	0.51

▸	MAPK10	P53779	1/20	0.51

▸	IL23R	Q5VWK5	1/20	0.51

▸	RAMP3	O60896	1/20	0.51

▸	CALCR	P30988	1/20	0.51

▸	HCRTR1	O43613	1/20	0.50

▸	HCRTR2	O43614	1/20	0.50

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
SCHEMBL16352049	1.00	KEAP1 (0.54)	KEAP1OPRM1OPRD1OPRK1NPY1R
SCHEMBL14549930	0.95	OPRM1 (0.55)	KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL30163263	0.95	OPRM1 (0.55)	KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL15130591	0.95	OPRM1 (0.55)	KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL28210612	0.95	OPRM1 (0.55)	KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL28846618	0.95	OPRM1 (0.55)	KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL30163405	0.94	OPRM1 (0.56)	KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL30163248	0.94	OPRM1 (0.55)	KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL30353299	0.94	SLC6A2 (0.55)	KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL14549935	0.93	OPRM1 (0.51)	KEAP1OPRM1OPRD1OPRK1SLC6A2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-115575557-B	Method for detecting and analyzing linaclotide and related substances thereof	苏州天马医药集团天吉生物制药有限公司	2025-02-07	—	—	CN	claimed
CN-115575557-A	Detection and analysis method for linaclotide and related substances thereof	苏州天马医药集团天吉生物制药有限公司	2023-01-06	—	—	CN	claimed
CN-115575557-B	Method for detecting and analyzing linaclotide and related substances thereof	苏州天马医药集团天吉生物制药有限公司	2025-02-07	—	—	CN	disclosed
CN-115575557-A	Detection and analysis method for linaclotide and related substances thereof	苏州天马医药集团天吉生物制药有限公司	2023-01-06	—	—	CN	disclosed