SCHEMBL8332723

SCHEMBL8332723

NC(=O)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 2/20 0.43
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ GSTK1 Q9Y2Q3 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CTSB P07858 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PDCD1LG2 Q9BQ51 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ GLO1 Q04760 1/20 0.34

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
SCHEMBL8717802 1.00 ECE1 (0.43) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL7464934 1.00 ECE1 (0.43) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL9228819 1.00 ECE1 (0.43) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL29592041 1.00 ECE1 (0.43) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL8717771 1.00 ECE1 (0.43) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL1443588 0.99 ECE1 (0.44) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL8710506 0.97 ECE1 (0.43) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL8397119 0.97 ECE1 (0.45) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL6136428 0.97 ECE1 (0.45) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL6129713 0.97 ECE1 (0.45) ECE1OPRM1OPRD1OPRK1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117098526-A Clostridium neurotoxin comprising exogenous activating ring 益普生生物制药有限公司 2023-11-21 — — CN disclosed
CN-112969797-A Engineering strains of corynebacterium 阿彻丹尼尔斯米德兰德公司 2021-06-15 — — CN disclosed
CN-112351992-A Botulinum toxin cell binding domain polypeptides and methods for their use in skin regeneration 阿勒根公司 2021-02-09 — — CN disclosed
CN-112351991-A Botulinum toxin cell binding domain polypeptides and methods for their use in treating fibrosis related disorders 阿勒根公司 2021-02-09 — — CN disclosed
CN-108822211-B Method for preparing A, B, E, F type tetravalent botulinum antitoxin 中国人民解放军军事科学院军事医学研究院 2019-12-24 — — CN disclosed
CN-108822211-A A method of preparing A, B, E, F type tetravalence botulinum antitoxin 中国人民解放军军事科学院军事医学研究院 2018-11-16 — — CN disclosed
CN-108619500-A A kind of A, B, E, Botulinum toxin F tetravalent vaccine and preparation method thereof 中国人民解放军军事科学院军事医学研究院 2018-10-09 — — CN disclosed
CN-100439394-C Pharmaceutical use of secreted bacterial effector proteins HEALTH AND NURSING AGENT CO (GB) 2008-12-03 — — CN disclosed
CN-1531549-A Pharmaceutical use of secreted bacterial effector proteins 健康保护代理公司 2004-09-22 — — CN disclosed
EP-0842270-A4 NUCLEIC ACID AND AMINO ACID SEQUENCES RELATING TO HELICOBACTER PYLORI FOR DIAGNOSTICS AND THERAPEUTICS ASTRA AB (SE) 1999-02-24 — — EP disclosed
CN-1186516-A Nucleic acid and amino acid sequences relating to helicobacter pylori for diagnostics and therapeutics ASTRA AB (SE) 1998-07-01 — — CN disclosed
EP-0842270-A1 NUCLEIC ACID AND AMINO ACID SEQUENCES RELATING TO HELICOBACTER PYLORI FOR DIAGNOSTICS AND THERAPEUTICS AKTIEBOLAGET ASTRA (SE) 1998-05-20 — — EP disclosed
WO-1996040893-A1 NUCLEIC ACID AND AMINO ACID SEQUENCES RELATING TO HELICOBACTER PYLORI FOR DIAGNOSTICS AND THERAPEUTICS ASTRA AKTIEBOLAG (SE) 1996-12-19 — — WO disclosed
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