SCHEMBL9414550

SCHEMBL9414550

CC(=O)CCCCCNCC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PAOX Q6QHF9 7/20 0.64
▸ MAOA P21397 2/20 0.42
▸ MAOB P27338 2/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PRMT1 Q99873 1/20 0.35

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
SCHEMBL16727725 0.88 PAOX (0.79) PAOXADRA1AKDM4EMAPK1HIF1A
SCHEMBL18849112 0.87 ADRA1A (0.59) PAOXADRA1AALDH1A1PRMT1
SCHEMBL7922962 0.87 PAOX (0.60) PAOXADRA1AALDH1A1PRMT1
SCHEMBL12292278 0.85 PAOX (0.58) PAOXMAOAMAOBADRA1AKDM4E
SCHEMBL12292305 0.85 PAOX (0.58) PAOXMAOAMAOBADRA1AKDM4E
SCHEMBL7885797 0.84 PAOX (0.56) PAOXMAOAMAOBADRA1AKDM4E
SCHEMBL9414616 0.83 PAOX (0.41) PAOXMAOAMAOBKDM4EMAPK1
SCHEMBL12155260 0.82 PAOX (0.55) PAOXMAOAMAOBADRA1AKDM4E
SCHEMBL12155258 0.82 PAOX (0.64) PAOXADRA1AKDM4EMAPK1HIF1A
SCHEMBL23428769 0.82 PAOX (0.44) PAOXMAOAMAOBKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101407543-A Labelled glutamine and lysine analogues NYCOMED AMERSHAM PLC (GB) 2009-04-15 — — CN disclosed
CN-1309661-A Labelled glutamine and lysine analogues NYCOMED AMERSHAM PLC (GB) 2001-08-22 — — CN disclosed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 — — EP disclosed
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