SCHEMBL30163405

C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)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 0.57

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.56

▸	OPRD1	P41143	4/20	0.56

▸	OPRK1	P41145	2/20	0.56

▸	KEAP1	Q14145	1/20	0.54

▸	CALCR	P30988	5/20	0.54

▸	SLC6A2	P23975	1/20	0.53

▸	RAMP3	O60896	1/20	0.52

▸	MAPK8	P45983	1/20	0.51

▸	MAPK9	P45984	1/20	0.51

▸	MAPK10	P53779	1/20	0.51

▸	HCRTR1	O43613	1/20	0.51

▸	HCRTR2	O43614	1/20	0.51

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
SCHEMBL15130591	0.99	OPRM1 (0.55)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL14549930	0.99	OPRM1 (0.55)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL28210612	0.99	OPRM1 (0.55)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL30163263	0.99	OPRM1 (0.55)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL28846618	0.99	OPRM1 (0.55)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL30163248	0.98	OPRM1 (0.55)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL29597272	0.97	OPRM1 (0.55)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL14549924	0.96	KEAP1 (0.56)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL11997748	0.96	KEAP1 (0.56)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL30163250	0.96	KEAP1 (0.56)	OPRM1OPRD1OPRK1KEAP1CALCR

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