SCHEMBL6131828

SCHEMBL6131828

COc1cc(CN2CCN(c3ccccc3OC)CC2)c(Cl)cc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
MAPT P10636 1/20 0.64
LMNA P02545 1/20 0.64
HTT P42858 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
DRD4 P21917 8/20 0.60
DRD2 P14416 7/20 0.60
DRD3 P35462 7/20 0.60
HRH2 P25021 4/20 0.60
HRH1 P35367 4/20 0.60
HTR7 P34969 4/20 0.58
HRH3 Q9Y5N1 1/20 0.55
MAPK1 P28482 1/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL6131926 0.98 KDM4E (0.62) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131941 0.95 KDM4E (0.56) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131898 0.85 ALDH1A1 (0.71) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131919 0.83 ALDH1A1 (0.69) KDM4EMAPTLMNAHTTTDP1
SCHEMBL4751022 0.82 NPC1 (0.74) KDM4ELMNAHTTDRD4DRD2
SCHEMBL6131822 0.81 KDM4E (0.74) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131833 0.81 KDM4E (0.71) KDM4EMAPTLMNAHTTTDP1
SCHEMBL9225440 0.80 MAPK1 (0.81) KDM4ELMNAHTTTDP1DRD4
Hydrochloric Acid SCHEMBL7689058 0.79 KDM4E (0.71) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131816 0.79 KDM4E (0.68) 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