SCHEMBL6131835

SCHEMBL6131835

COc1cc(C(C)N2CCN(c3ccccc3F)CC2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
UTS2R Q9UKP6 4/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.43

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 SCHEMBL6131878 0.98 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2GAATDP1
SCHEMBL6131939 0.89 GAA (0.55) ALDH1A1KDM4ESMN1; SMN2GAAUTS2R
Water SCHEMBL7688250 0.88 GAA (0.54) ALDH1A1KDM4ESMN1; SMN2GAAUTS2R
Water SCHEMBL7688253 0.88 GAA (0.54) ALDH1A1KDM4ESMN1; SMN2GAAUTS2R
SCHEMBL6131984 0.87 UTS2R (0.49) ALDH1A1KDM4EGAAUTS2RLMNA
SCHEMBL6131786 0.87 GAA (0.52) ALDH1A1KDM4ESMN1; SMN2GAAUTS2R
Hydrochloric Acid SCHEMBL7690385 0.87 MAPT (0.53) ALDH1A1KDM4ESMN1; SMN2GAAUTS2R
Hydrochloric Acid SCHEMBL7690388 0.87 MAPT (0.53) ALDH1A1KDM4ESMN1; SMN2GAAUTS2R
Water SCHEMBL7688833 0.86 GAA (0.51) ALDH1A1KDM4ESMN1; SMN2GAAUTS2R
Water SCHEMBL6131969 0.86 GAA (0.51) ALDH1A1KDM4ESMN1; SMN2GAAUTS2R

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