SCHEMBL29597272

C[C@H](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](C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.55

▸	OPRD1	P41143	4/20	0.55

▸	OPRK1	P41145	2/20	0.55

▸	KEAP1	Q14145	1/20	0.55

▸	CALCR	P30988	5/20	0.52

▸	SLC6A2	P23975	1/20	0.51

▸	RAMP3	O60896	1/20	0.50

▸	NMUR2	Q9GZQ4	1/20	0.50

▸	NMUR1	Q9HB89	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
SCHEMBL15130591	0.98	OPRM1 (0.55)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL28846618	0.98	OPRM1 (0.55)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL30163248	0.98	OPRM1 (0.55)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL30163263	0.98	OPRM1 (0.55)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL28210612	0.98	OPRM1 (0.55)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL14549930	0.98	OPRM1 (0.55)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL30163405	0.97	OPRM1 (0.56)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL11997748	0.94	KEAP1 (0.56)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL30353299	0.94	SLC6A2 (0.55)	OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL14549924	0.94	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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-114349824-A	Method for purifying linaclotide	江苏诺泰澳赛诺生物制药股份有限公司	2022-04-15	—	—	CN	disclosed