SCHEMBL6131832

SCHEMBL6131832

COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OC(=O)N(C)C

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
KMT2A Q03164 1/20 0.63
DRD2 P14416 2/20 0.62
DRD4 P21917 2/20 0.62
DRD3 P35462 1/20 0.62
HTR7 P34969 2/20 0.62
POLB P06746 1/20 0.59
MAPK1 P28482 1/20 0.58
BCHE P06276 1/20 0.56
MAOA P21397 1/20 0.56
ACHE P22303 1/20 0.56
MAOB P27338 1/20 0.56

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 SCHEMBL6131893 0.99 KDM4E (0.62) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL6131998 0.96 KDM4E (0.66) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL6131975 0.92 BCHE (0.57) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL6131962 0.92 KDM4E (0.62) KDM4EALDH1A1KMT2ADRD2DRD4
Hydrochloric Acid SCHEMBL6131817 0.91 BCHE (0.56) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL6131769 0.91 ALDH1A1 (0.67) KDM4EALDH1A1KMT2ADRD2DRD4
Hydrochloric Acid SCHEMBL6131814 0.91 KDM4E (0.61) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL6131943 0.87 KDM4E (0.63) KDM4EALDH1A1KMT2ADRD2DRD4
Hydrochloric Acid SCHEMBL6131772 0.87 ALDH1A1 (0.54) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL6132095 0.84 ALDH1A1 (0.64) KDM4EALDH1A1KMT2AMAPK1BCHE

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 6 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
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