SCHEMBL6656594

SCHEMBL6656594

O=[N+]([O-])c1cc[n+]([O-])c(N2CCC(CCO)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.41
CSF1R P07333 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
PNMT P11086 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RHOA P61586 1/20 0.35
DRD2 P14416 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL6663521 0.93 ACHE (0.40) ACHECSF1RMAPTTDP1PNMT
SCHEMBL6657190 0.81 KCNH2 (0.42) MAPTMEN1KMT2A
SCHEMBL6661589 0.80 LTA4H (0.41) ACHEMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL6657367 0.78 HTR6 (0.42) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6658483 0.77 MAPT (0.45) ACHEMAPTTDP1ALDH1A1HTT
SCHEMBL6660658 0.77 CHRNB4 (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6657776 0.77 MAOB (0.48) ALDH1A1HTTMEN1KMT2A
SCHEMBL6657970 0.77 ACHE (0.39) ACHEMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL6659951 0.77 MAPT (0.40) MAPTTDP1MEN1KMT2ADRD2
SCHEMBL6658785 0.77 CHRNB4 (0.44)

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-2004004715-A2 NOVEL DELTA OPIOID RECEPTOR LIGANDS GLAXOSMITHKLINE SPA (IT) 2004-01-15 WO claimed
WO-2004004715-A2 NOVEL DELTA OPIOID RECEPTOR LIGANDS GLAXOSMITHKLINE SPA (IT) 2004-01-15 WO disclosed