SCHEMBL6131917

SCHEMBL6131917

CNC(=O)Oc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 2/20 0.53
DRD2 P14416 3/20 0.52
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
FAAH O00519 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
UTS2R Q9UKP6 1/20 0.47
GAA P10253 1/20 0.47

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 SCHEMBL6132037 0.90 ALDH1A1 (0.52) HTR7ALDH1A1KDM4EKMT2ADRD2
SCHEMBL6131943 0.89 KDM4E (0.63) HTR7ALDH1A1KDM4EKMT2ADRD2
Hydrochloric Acid SCHEMBL6131834 0.87 KDM4E (0.60) HTR7ALDH1A1KDM4EKMT2ADRD2
SCHEMBL6132010 0.87 GAA (0.62) HTR7ALDH1A1KDM4EKMT2ADRD2
SCHEMBL6131830 0.87 KDM4E (0.62) HTR7ALDH1A1KDM4EKMT2ADRD2
SCHEMBL6131861 0.87 ALDH1A1 (0.66) HTR7ALDH1A1KDM4EKMT2ADRD2
Hydrochloric Acid SCHEMBL6131911 0.86 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ADRD2ALOX15
SCHEMBL6131795 0.86 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2ADRD2ALOX15
SCHEMBL6131995 0.84 MAPT (0.61) ALDH1A1KDM4EKMT2ATSHRFAAH
SCHEMBL6131915 0.83 ALDH1A1 (0.56) HTR7ALDH1A1KDM4EKMT2ADRD2

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