SCHEMBL6131861

SCHEMBL6131861

CNC(=O)Oc1ccccc1N1CCN(Cc2ccc(OC)c(OC)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 3/20 0.66
KMT2A Q03164 2/20 0.66
DRD2 P14416 2/20 0.60
DRD4 P21917 2/20 0.60
DRD3 P35462 1/20 0.60
HTR7 P34969 2/20 0.59
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
POLB P06746 1/20 0.56
MEN1 O00255 1/20 0.55
FAAH O00519 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GAA P10253 1/20 0.53
UTS2R Q9UKP6 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
SCHEMBL6131943 0.96 KDM4E (0.63) ALDH1A1KDM4EKMT2ADRD2DRD4
SCHEMBL6132010 0.90 GAA (0.62) ALDH1A1KDM4EKMT2ADRD2DRD4
SCHEMBL6131830 0.90 KDM4E (0.62) ALDH1A1KDM4EKMT2ADRD2DRD4
SCHEMBL6131795 0.89 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2ADRD2DRD4
Hydrochloric Acid SCHEMBL6131834 0.88 KDM4E (0.60) ALDH1A1KDM4EKMT2ADRD2DRD4
SCHEMBL6131998 0.87 KDM4E (0.66) ALDH1A1KDM4EKMT2ADRD2DRD4
SCHEMBL6131917 0.87 HTR7 (0.53) ALDH1A1KDM4EKMT2ADRD2DRD4
Hydrochloric Acid SCHEMBL6131911 0.87 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ADRD2DRD4
SCHEMBL6131995 0.86 MAPT (0.61) ALDH1A1KDM4EKMT2ATSHRMEN1
SCHEMBL6131915 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2ADRD2DRD4

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