SCHEMBL6131808

SCHEMBL6131808

COc1cc(C(C)N2CCN(c3ccccc3C(F)(F)F)CC2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.46
RBP4 P02753 2/20 0.46
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
PHGDH O43175 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP3A5 P20815 1/20 0.41
TTR P02766 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TNF P01375 1/20 0.39
IL6 P05231 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6131939 0.86 GAA (0.55) UTS2RGAAMAPTALDH1A1MEN1
SCHEMBL6131835 0.85 ALDH1A1 (0.52) UTS2RGAAMAPTALDH1A1MEN1
Water SCHEMBL7688250 0.85 GAA (0.54) UTS2RGAAMAPTALDH1A1MEN1
Water SCHEMBL7688253 0.85 GAA (0.54) UTS2RGAAMAPTALDH1A1MEN1
SCHEMBL6131818 0.85 RBP4 (0.51) UTS2RRBP4GAA
SCHEMBL6131786 0.84 GAA (0.52) UTS2RRBP4GAAMAPTALDH1A1
SCHEMBL6131984 0.84 UTS2R (0.49) UTS2RGAAMAPTALDH1A1POLB
Hydrochloric Acid SCHEMBL7690385 0.84 MAPT (0.53) UTS2RGAAMAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL7690388 0.84 MAPT (0.53) UTS2RGAAMAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL6131878 0.83 ALDH1A1 (0.50) UTS2RGAAMAPTALDH1A1MEN1

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