SCHEMBL6662627

SCHEMBL6662627

O=[N+]([O-])c1cc[n+]([O-])c(NCCCOc2cccc(CCO)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MAPT P10636 5/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 2/20 0.37

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
SCHEMBL6657196 0.85 MEN1 (0.57) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6656820 0.85 DRD2 (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6662210 0.84 MAPT (0.56) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6660189 0.83 DRD2 (0.46) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6662269 0.83 HRH2 (0.55)
SCHEMBL6659094 0.82 MAOB (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6661644 0.82 DRD2 (0.50) MEN1KMT2AALDH1A1MAPTDRD2
SCHEMBL6658613 0.81 PPARG (0.46) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6659471 0.81 MEN1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6659831 0.81 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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