Agmatine

Agmatine

SCHEMBL27814729

N=C(N)NCCCCN.NCCS(=O)(=O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.52
LMNA P02545 2/20 0.52
SLC6A6 P31641 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALOX15 P16050 2/20 0.50
APP P05067 1/20 0.48
CYP1A2 P05177 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PAOX Q6QHF9 2/20 0.41
PMP22 Q01453 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DDAH1 O94760 1/20 0.33
CA12 O43570 1/20 0.32
F13A1 P00488 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32

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
Taurine SCHEMBL25373994 0.89 LMNA (0.56) BLMLMNASLC6A6CYP2C19ALOX15
Agmatine SCHEMBL196302 0.88 ALOX15 (0.61) BLMLMNACYP2C19ALOX15APP
Agmatine SCHEMBL4535578 0.88 ALOX15 (0.61) BLMLMNACYP2C19ALOX15APP
Agmatine SCHEMBL27686087 0.86 ALOX15 (0.59) BLMLMNAALOX15APPCYP1A2
Agmatine SCHEMBL4727351 0.86 ALOX15 (0.59) BLMLMNAALOX15APPCYP1A2
Sulfuric Acid SCHEMBL12803040 0.86 ALOX15 (0.59) BLMLMNAALOX15APPCYP1A2
Sulfuric Acid SCHEMBL22440174 0.86 ALOX15 (0.59) BLMLMNAALOX15APPCYP1A2
SCHEMBL4100132 0.84 ALOX15 (0.56) BLMLMNASLC6A6CYP2C19ALOX15
SCHEMBL1561614 0.84 ALOX15 (0.56) BLMLMNASLC6A6CYP2C19ALOX15
Agmatine SCHEMBL5665180 0.84 CYP1A2 (0.54) LMNACYP2C19ALOX15CYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685320-B Agmatine taurine salt and preparation method and application thereof 武汉远大弘元股份有限公司 2024-04-09 CN claimed
CN-114685320-A Gaminobutylamine taurate and preparation method and application thereof 武汉远大弘元股份有限公司 2022-07-01 CN claimed
CN-114685320-B Agmatine taurine salt and preparation method and application thereof 武汉远大弘元股份有限公司 2024-04-09 CN disclosed
CN-114685320-B Agmatine taurine salt and preparation method and application thereof 武汉远大弘元股份有限公司 2024-04-09 CN disclosed
CN-114685320-B Agmatine taurine salt and preparation method and application thereof 武汉远大弘元股份有限公司 2024-04-09 CN disclosed
CN-114685320-A Gaminobutylamine taurate and preparation method and application thereof 武汉远大弘元股份有限公司 2022-07-01 CN disclosed
CN-114685320-A Gaminobutylamine taurate and preparation method and application thereof 武汉远大弘元股份有限公司 2022-07-01 CN disclosed
CN-101851184-A Acamprosate agmatine salt and analogue thereof ANLIANG LI 2010-10-06 CN disclosed