SCHEMBL28811476

SCHEMBL28811476

O=C(O)N1CCNCCNCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA9 Q16790 1/20 0.54
CHKA P35790 1/20 0.52
CHRNB2 P17787 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
CHRNB3 Q05901 1/20 0.50
CHRNA6 Q15825 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
POLB P06746 1/20 0.42
HSD11B1 P28845 1/20 0.42
RXFP1 Q9HBX9 1/20 0.38
EPHX2 P34913 1/20 0.38
HPGD P15428 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ABCC1 P33527 1/20 0.36

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
Piperazine SCHEMBL27664792 1.00 CA2 (0.54) CA2CA12CA1CA9CHKA
SCHEMBL5031106 1.00 CA2 (0.54) CA2CA12CA1CA9CHKA
SCHEMBL31505510 0.97 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL15319 0.97
SCHEMBL6961568 0.97
SCHEMBL17100538 0.97 CA2 (0.56) CA2CA12CA1CA9CHKA
Water SCHEMBL10607939 0.94 CA2 (0.54) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL125486 0.94 CA2 (0.54) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL18116041 0.94 CA2 (0.54) CA2CA12CA1CA9CHKA
Water SCHEMBL11193463 0.94 CA2 (0.54) CA2CA12CA1CA9CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119345488-A Multifunctional vascular stent releasing double physiotherapy gases and preparation method thereof 东莞市人民医院 2025-01-24 CN claimed
CN-114870102-B Double-sided vascular stent with nitric oxide catalytic release function and preparation method thereof 东莞市人民医院 2023-08-25 CN claimed
CN-115364282-A Double-function blood vessel support and preparation method thereof 东莞市人民医院 2022-11-22 CN claimed
CN-114870102-A Double-sided intravascular stent with nitric oxide catalytic release function and preparation method thereof 东莞市人民医院 2022-08-09 CN claimed
WO-2025087466-A2 LIGAND COMPOUND OF QUINOLINE STRUCTURE, AND RADIOACTIVE OR NON-RADIOACTIVE MARKER THEREOF AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2025-05-01 WO disclosed
WO-2025087229-A1 LIGAND COMPOUND OF QUINOLINE STRUCTURE, RADIOACTIVE OR NON-RADIOACTIVE MARKER, AND USE 四川科伦博泰生物医药股份有限公司 2025-05-01 WO disclosed
CN-119345488-A Multifunctional vascular stent releasing double physiotherapy gases and preparation method thereof 东莞市人民医院 2025-01-24 CN disclosed
CN-114870102-B Double-sided vascular stent with nitric oxide catalytic release function and preparation method thereof 东莞市人民医院 2023-08-25 CN disclosed
CN-115364282-A Double-function blood vessel support and preparation method thereof 东莞市人民医院 2022-11-22 CN disclosed
CN-114870102-A Double-sided intravascular stent with nitric oxide catalytic release function and preparation method thereof 东莞市人民医院 2022-08-09 CN disclosed