SCHEMBL6658813

SCHEMBL6658813

CC(=O)CCc1ccc(OCCC2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 6/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
KCNH2 Q12809 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ACHE P22303 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
GALR3 O60755 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL6657367 0.84 HTR6 (0.42) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL6657776 0.82 MAOB (0.48) MEN1KMT2AALDH1A1HTT
SCHEMBL6657970 0.80 ACHE (0.39) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL6657190 0.80 KCNH2 (0.42) MEN1KMT2AMAPTKCNH2
SCHEMBL6658483 0.79 MAPT (0.45) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL6660658 0.79 CHRNB4 (0.43) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL6661589 0.79 LTA4H (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6656357 0.79 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6659951 0.79 MAPT (0.40) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL6661071 0.78 HRH3 (0.43) MEN1KMT2AALDH1A1LMNAMAPT

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