Spermine

Spermine

SCHEMBL5361159

NC(=O)[C@@H](N)Cc1ccccc1.NCCCNCCCCNCCCN

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALPI P09923 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ XIAP P98170 1/20 0.51
▸ SLC7A5 Q01650 1/20 0.51
▸ MMP2 P08253 4/20 0.51
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNB4 P30926 1/20 0.51
▸ CHRNA3 P32297 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ GRIA1 P42261 3/20 0.49
▸ CHRNA1 P02708 2/20 0.49
▸ CHRNG P07510 2/20 0.49
▸ CHRNB1 P11230 2/20 0.49
▸ CHRND Q07001 2/20 0.49
▸ LTA4H P09960 1/20 0.47

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
SCHEMBL14359605 0.85 CHRNB2 (0.63) MMP2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12085491 0.85 CHRNB2 (0.63) MMP2CHRNB2CHRNB4CHRNA3CHRNA4
Phenylalanine Amide SCHEMBL353251 0.82 SLC7A5 (0.73) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Amide SCHEMBL244302 0.82 SLC7A5 (0.73) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Amide SCHEMBL244303 0.82 SLC7A5 (0.73) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Amide SCHEMBL11349868 0.82 SLC7A5 (0.73) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Amide SCHEMBL23002157 0.81 SLC7A5 (0.70) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Amide SCHEMBL11569548 0.81 SLC7A5 (0.70) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Amide SCHEMBL353593 0.81 SLC7A5 (0.70) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Amide SCHEMBL31657718 0.81 SLC7A5 (0.70) ALPIPKMPTGS1XIAPSLC7A5

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
US-7208528-B1 Polyamine analogues as therapeutic and diagnostic agents MEDIQUEST THERAPEUTICS, INC. (US) 2007-04-24 — — US disclosed
EP-1085011-A1 Novel polyamine analogues as therapeutic and diagnostic agents ORIDIGM CORPORATION (US) 2001-03-21 — — EP disclosed
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