SCHEMBL6131776

SCHEMBL6131776

COc1cc(C(C)N2CCN(c3ccccc3F)CC2)ccc1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.48
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2C P28335 1/20 0.48
HTR6 P50406 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL6131793 0.90 GAA (0.59) UTS2RALDH1A1GAALMNA
SCHEMBL7686644 0.89 UTS2R (0.49) UTS2RALDH1A1HTR1AHTR1DHTR1B
SCHEMBL6131934 0.88 UTS2R (0.52) UTS2RGAAHTR1AHTR1DHTR1B
SCHEMBL6131867 0.88 UTS2R (0.52) UTS2RGAAHTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL7680845 0.87 UTS2R (0.48) UTS2RALDH1A1HTR1AHTR1DHTR1B
SCHEMBL6131818 0.87 RBP4 (0.51) UTS2RGAA
SCHEMBL6131801 0.85 KMT2A (0.52) UTS2RALDH1A1GAALMNA
SCHEMBL6131835 0.84 ALDH1A1 (0.52) UTS2RALDH1A1GAALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6131878 0.82 ALDH1A1 (0.50) UTS2RALDH1A1GAALMNASMN1; SMN2
SCHEMBL6132081 0.79 UTS2R (0.52) UTS2RALDH1A1GAALMNA

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 4 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 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