Agmatine

Agmatine

SCHEMBL23364182

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

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
ALOX15 P16050 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 1/20 0.41
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL3444104 0.95 HDAC6 (0.42) PAOXSMN1; SMN2ALDH1A1POLBMEN1
Synthalin SCHEMBL29526432 0.91 MEN1 (0.52) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
Agmatine SCHEMBL29233378 0.87 PAOX (0.52) PAOXSMN1; SMN2ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL9173127 0.86 HDAC6 (0.51) PAOXSMN1; SMN2MEN1KMT2AHRH4
Trifluoroacetic Acid SCHEMBL9178312 0.86 HDAC6 (0.51) PAOXSMN1; SMN2MEN1KMT2AHRH4
Trifluoroacetic Acid SCHEMBL6762936 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL9178566 0.85 HDAC6 (0.50) PAOXSMN1; SMN2MEN1KMT2AHRH4
Trifluoroacetic Acid SCHEMBL9172125 0.85 HDAC6 (0.50) PAOXSMN1; SMN2MEN1KMT2AHRH4
Agmatine SCHEMBL27692425 0.85 PAOX (0.54) PAOXSMN1; SMN2MEN1KMT2AALOX15
Trifluoroacetic Acid SCHEMBL6761035 0.84 PRMT1 (0.48) SMN1; SMN2ALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021097228-A1 COMPOSITIONS AND SALTS FOR IMPROVING L-ARGININE BIOAVAILABILITY THE GENERAL HOSPITAL CORPORATION (US) 2021-05-20 WO claimed
WO-2021097228-A1 COMPOSITIONS AND SALTS FOR IMPROVING L-ARGININE BIOAVAILABILITY THE GENERAL HOSPITAL CORPORATION (US) 2021-05-20 WO disclosed