SCHEMBL7806485

SCHEMBL7806485

COc1ccc(C(=O)Nc2cc(Nc3cccc(N4CCOCC4)c3)ccc2C)cc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK14 Q16539 8/20 0.47
SMO Q99835 1/20 0.46
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
PDE5A O76074 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
TBK1 Q9UHD2 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TGFBR1 P36897 1/20 0.43

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
SCHEMBL6477326 0.94 MAPK14 (0.54) MAPTMEN1ALDH1A1PKMKMT2A
SCHEMBL7809442 0.89 MAPK14 (0.52) MEN1KMT2AMAPK14SMOTGFBR1
SCHEMBL7804552 0.89 OPRK1 (0.54) ALDH1A1MAPK14SMOSMN1; SMN2TGFBR1
SCHEMBL7807962 0.87 MAPT (0.54) MAPTMEN1ALDH1A1PKMKMT2A
SCHEMBL7806472 0.85 OPRK1 (0.51) ALDH1A1MAPK14SMOTBK1SMN1; SMN2
SCHEMBL6972611 0.84 MAPK14 (0.57) MAPTMEN1ALDH1A1PKMKMT2A
SCHEMBL2972096 0.84 OPRK1 (0.58) MAPK14SMO
SCHEMBL6476511 0.84 MAPK14 (0.62) MAPK14SMO
SCHEMBL7856980 0.83 OPRK1 (0.54) MAPK14SMO
SCHEMBL6476766 0.83 OPRK1 (0.59) ALDH1A1MAPK14SMO

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
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO disclosed