SCHEMBL6131941

SCHEMBL6131941

COc1cc(CN2CCN(c3ccccc3Cl)CC2)c(Cl)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTR7 P34969 3/20 0.54
DRD4 P21917 6/20 0.52
DRD2 P14416 5/20 0.52
DRD3 P35462 5/20 0.52
HRH2 P25021 4/20 0.52
HRH1 P35367 3/20 0.52
RAB9A P51151 2/20 0.52
MAPK1 P28482 2/20 0.52
NPC1 O15118 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 2/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
TSHR P16473 1/20 0.51
ACHE P22303 1/20 0.48

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
SCHEMBL6131828 0.95 KDM4E (0.64) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131926 0.93 KDM4E (0.62) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131898 0.85 ALDH1A1 (0.71) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131919 0.84 ALDH1A1 (0.69) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131901 0.81 KDM4E (0.62) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131927 0.81 KDM4E (0.65) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131826 0.79 KDM4E (0.60) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131883 0.78 KDM4E (0.53) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131902 0.78 KDM4E (0.53) KDM4EMAPTLMNAHTTTDP1
Hydrochloric Acid SCHEMBL6131896 0.77 KDM4E (0.53) KDM4EMAPTLMNAHTTTDP1

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