SCHEMBL28811478

SCHEMBL28811478

O=C(O)N1CCCNCCNCCCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
CHKA P35790 1/20 0.54
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
CXCR4 P61073 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
ADRA2C P18825 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
SCHEMBL193663 0.96 CA2 (0.58) CA2CHKACA12CA1CA9
SCHEMBL23778315 0.91 CA2 (0.50) CA2CHKACA12CA1CA9
SCHEMBL27887523 0.89 CA2 (0.61) CA2CHKACA12CA1CA9
SCHEMBL28811476 0.89 CA2 (0.54) CA2CHKACA12CA1CA9
Piperazine SCHEMBL27664792 0.89 CA2 (0.54) CA2CHKACA12CA1CA9
SCHEMBL5031106 0.89 CA2 (0.54) CA2CHKACA12CA1CA9
SCHEMBL31505510 0.86 CA2 (0.52) CA2CHKACA12CA1CA9
SCHEMBL15319 0.86
SCHEMBL17100538 0.86 CA2 (0.56) CA2CHKACA12CA1CA9
SCHEMBL6961568 0.86

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 12 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-115298178-B Thiopurine compound, composition, preparation method and application 聚天生医股份有限公司 2023-09-01 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-115298178-A Thiopurine compound, composition, preparation method and application 聚天生医股份有限公司 2022-11-04 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
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-115298178-B Thiopurine compound, composition, preparation method and application 聚天生医股份有限公司 2023-09-01 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-115298178-A Thiopurine compound, composition, preparation method and application 聚天生医股份有限公司 2022-11-04 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