SCHEMBL6663521

SCHEMBL6663521

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
PNMT P11086 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CSF1R P07333 1/20 0.34
RHOA P61586 1/20 0.34
DRD2 P14416 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 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
SCHEMBL6656594 0.93 ACHE (0.41) ACHEPNMTMAPTTDP1ALDH1A1
SCHEMBL6661589 0.83 LTA4H (0.41) ACHEMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL6657190 0.79 KCNH2 (0.42) MAPTMEN1KMT2A
SCHEMBL27356 0.76 MAPT (0.53) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL6657367 0.76 HTR6 (0.42) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6660658 0.75 CHRNB4 (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6658483 0.75 MAPT (0.45) ACHEMAPTTDP1ALDH1A1HTT
SCHEMBL31216639 0.75 ALDH1A1 (0.56) PNMTMAPTTDP1ALDH1A1HTT
SCHEMBL6657776 0.75 MAOB (0.48) ALDH1A1HTTMEN1KMT2A
SCHEMBL6657970 0.75 ACHE (0.39) ACHEMAPTALDH1A1SMN1; SMN2MEN1

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 1 patent. 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 disclosed