SCHEMBL6131902

SCHEMBL6131902

COc1cc(CN2CCN(c3ccccc3Cl)CC2)c(Cl)cc1OC(=O)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTR7 P34969 2/20 0.51
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
ALDH1A1 P00352 2/20 0.48
PLA2G1B P04054 1/20 0.48
RAB9A P51151 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
BCHE P06276 1/20 0.48
MAOA P21397 1/20 0.48
ACHE P22303 1/20 0.48
MAOB P27338 1/20 0.48
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL6131883 1.00 KDM4E (0.53) KDM4EMAPTLMNAHTTTDP1
Hydrochloric Acid SCHEMBL6131896 0.99 KDM4E (0.53) KDM4EMAPTLMNAHTTTDP1
Hydrochloric Acid SCHEMBL6131823 0.93 KDM4E (0.59) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131975 0.86 BCHE (0.57) KDM4ETDP1HTR7DRD2DRD4
SCHEMBL6131859 0.85 ALDH1A1 (0.54) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131848 0.85 ALDH1A1 (0.54) KDM4EMAPTLMNAHTTTDP1
Hydrochloric Acid SCHEMBL6131772 0.85 ALDH1A1 (0.54) KDM4ETDP1HTR7DRD2DRD4
Hydrochloric Acid SCHEMBL6131817 0.85 BCHE (0.56) KDM4ETDP1HTR7DRD2DRD4
SCHEMBL6131963 0.83 KDM4E (0.60) KDM4EMAPTLMNAHTTTDP1
SCHEMBL6131927 0.80 KDM4E (0.65) 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 3 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