SCHEMBL6131963

SCHEMBL6131963

COc1cc(Br)c(CN2CCN(c3ccccc3OC)CC2)cc1OC(=O)N(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.60
LMNA P02545 3/20 0.60
HTT P42858 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
DRD2 P14416 4/20 0.54
DRD4 P21917 4/20 0.54
DRD3 P35462 4/20 0.54
HRH1 P35367 3/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
PAX8 Q06710 1/20 0.54
KLF5 Q13887 1/20 0.54
HRH2 P25021 2/20 0.54
POLB P06746 1/20 0.53
ALOX15 P16050 1/20 0.53

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
Hydrochloric Acid SCHEMBL6131823 0.86 KDM4E (0.59) KDM4ELMNAHTTTDP1DRD2
SCHEMBL7686968 0.85 ALDH1A1 (0.54) KDM4ELMNAHTTTDP1DRD3
SCHEMBL6131902 0.83 KDM4E (0.53) KDM4ELMNAHTTTDP1DRD2
SCHEMBL6131883 0.83 KDM4E (0.53) KDM4ELMNAHTTTDP1DRD2
SCHEMBL6131832 0.82 KDM4E (0.63) KDM4EDRD2DRD4DRD3ALDH1A1
Hydrochloric Acid SCHEMBL6131896 0.82 KDM4E (0.53) KDM4ELMNAHTTTDP1DRD2
Bicarbonate SCHEMBL6131884 0.82 ALDH1A1 (0.51) KDM4ELMNAHTTTDP1DRD3
Bicarbonate SCHEMBL6131829 0.82 ALDH1A1 (0.51) KDM4ELMNAHTTTDP1DRD3
Hydrochloric Acid SCHEMBL6131893 0.82 KDM4E (0.62) KDM4EDRD2DRD4DRD3SMN1; SMN2
SCHEMBL6131779 0.81 KDM4E (0.64) KDM4ELMNAHTTTDP1DRD2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP claimed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP claimed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO claimed
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed