SCHEMBL30163248

SCHEMBL30163248

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

nearest known ligand 0.57

Predicted protein targets (top 11)

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
▸ CALCR P30988 5/20 0.53
▸ SLC6A2 P23975 1/20 0.52
▸ RAMP3 O60896 1/20 0.51
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ FCGRT P55899 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 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
SCHEMBL30163405 0.98 OPRM1 (0.56) OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL29597272 0.98 OPRM1 (0.55) OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL14549924 0.95 KEAP1 (0.56) OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL11997748 0.95 KEAP1 (0.56) OPRM1OPRD1OPRK1KEAP1CALCR
SCHEMBL30163250 0.95 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-116672309-A dry suspension pharmaceutical composition 北京普诺旺康医药科技有限公司 2023-09-01 — — 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
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