SCHEMBL21385233

SCHEMBL21385233

CC(=O)ON1CCNCCN(OC(C)=O)CCN(OC(C)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
CHKA P35790 1/20 0.35
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
SIGMAR1 Q99720 3/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
OPRD1 P41143 1/20 0.30

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
SCHEMBL30994809 1.00 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL30598789 0.98 CA2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1083049 0.98 CA2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL27687817 0.95 CA2 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2907407 0.95 CA2 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Water SCHEMBL23356455 0.95 CA2 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL28060532 0.95 CA2 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Propionic Acid SCHEMBL28044756 0.86 FFAR3 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL29052233 0.85 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1
SCHEMBL31591139 0.85 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4583926-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP claimed
WO-2024052550-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO claimed
EP-4308551-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Aktiengesellschaft (DE) 2024-01-24 EP claimed
WO-2022194777-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2022-09-22 WO claimed
CN-122094950-A Ligand compound with quinoline structure, and radioactive or non-radioactive marker and application thereof 2026-05-26 CN disclosed
CN-122055172-A Chimeric radiopharmaceuticals targeting the proton-sensitive receptor GPR4 安菲利克斯股份公司 2026-05-15 CN disclosed
EP-4583926-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
CN-120129679-A VHH antibody DOTA conjugates 雅博得乐医疗公司 2025-06-10 CN disclosed
CN-119192214-B Targeted binding fibroblast activation protein multimeric compound and application thereof 杭州景嘉航生物医药科技有限公司 2025-04-01 CN disclosed
CN-119192214-A Targeted binding fibroblast activation protein multimeric compound and application thereof 杭州景嘉航生物医药科技有限公司 2024-12-27 CN disclosed
CN-118955616-A Targeted binding fibroblast activation protein compound and application thereof 杭州景嘉航生物医药科技有限公司 2024-11-15 CN disclosed
CN-118619941-A Nitrogen-containing heterocyclic compound, and preparation method and application thereof 晶核生物医药科技(南京)有限公司 2024-09-10 CN disclosed
WO-2024052550-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
EP-4308551-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Aktiengesellschaft (DE) 2024-01-24 EP disclosed
CN-111886226-B Compounds, anti-inflammatory agents containing the same, and cyclooxygenase-2 inhibitors 张用敏 2023-08-15 CN disclosed
WO-2022194777-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2022-09-22 WO disclosed
WO-2019182393-A1 COMPOUND HAVING NOVEL STRUCTURE, ANTI-INFLAMMATORY AGENT COMPRISING SAME, AND MATRIX METALLOPROTEASE-9 INHIBITOR COMPRISING SAME 경북대학교 산학협력단 2019-09-26 WO disclosed
WO-2019182395-A1 COMPOUND HAVING NOVEL STRUCTURE, ANTI-INFLAMMATORY AGENT COMPRISING SAME, AND CYCLOOXYGENASE-2 INHIBITOR COMPRISING SAME 장용민 2019-09-26 WO disclosed