SCHEMBL28846618

SCHEMBL28846618

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

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.55
▸ OPRD1 P41143 4/20 0.55
▸ OPRK1 P41145 2/20 0.55
▸ KEAP1 Q14145 1/20 0.55
▸ SLC6A2 P23975 1/20 0.54
▸ CALCR P30988 5/20 0.53
▸ RAMP3 O60896 1/20 0.51
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL15130591 1.00 OPRM1 (0.55) OPRM1OPRD1OPRK1KEAP1SLC6A2
SCHEMBL30163263 1.00 OPRM1 (0.55) OPRM1OPRD1OPRK1KEAP1SLC6A2
SCHEMBL14549930 1.00 OPRM1 (0.55) OPRM1OPRD1OPRK1KEAP1SLC6A2
SCHEMBL28210612 1.00 OPRM1 (0.55) OPRM1OPRD1OPRK1KEAP1SLC6A2
SCHEMBL30163405 0.99 OPRM1 (0.56) OPRM1OPRD1OPRK1KEAP1SLC6A2
SCHEMBL30163248 0.99 OPRM1 (0.55) OPRM1OPRD1OPRK1KEAP1SLC6A2
SCHEMBL29597272 0.98 OPRM1 (0.55) OPRM1OPRD1OPRK1KEAP1SLC6A2
SCHEMBL14549924 0.97 KEAP1 (0.56) OPRM1OPRD1OPRK1KEAP1SLC6A2
SCHEMBL11997748 0.97 KEAP1 (0.56) OPRM1OPRD1OPRK1KEAP1SLC6A2
SCHEMBL30163250 0.97 KEAP1 (0.56) OPRM1OPRD1OPRK1KEAP1SLC6A2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115105582-A Pharmaceutical composition containing linaclotide or linaclotide salt and preparation method thereof 江苏豪森药业集团有限公司 2022-09-27 — — CN disclosed
CN-105153284-B Method for purifying linaclotide 浙江和泽医药科技股份有限公司 2022-05-31 — — CN disclosed
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