SCHEMBL6131819

SCHEMBL6131819

COc1cc(CCN2CCN(c3ccccc3C(F)(F)F)CC2)ccc1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.56
ADRA1A P35348 5/20 0.56
ADRA1B P35368 5/20 0.56
RBP4 P02753 1/20 0.52
HTR1A P08908 3/20 0.48
EBP Q15125 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
TMEM97 Q5BJF2 1/20 0.48
HTR2C P28335 2/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
HTR2A P28223 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
SCHEMBL6131894 0.90 ADRA1D (0.53) ADRA1DADRA1AADRA1BRBP4HTR1A
SCHEMBL6131931 0.90 ADRA1D (0.53) ADRA1DADRA1AADRA1BRBP4HTR1A
Hydrochloric Acid SCHEMBL6131923 0.89 ADRA1D (0.52) ADRA1DADRA1AADRA1BRBP4HTR1A
SCHEMBL6131794 0.88 ADRA1D (0.68) ADRA1DADRA1AADRA1BHTR1AHTR2C
SCHEMBL6131777 0.87 ADRA1D (0.59) ADRA1DADRA1AADRA1BHTR1AEBP
SCHEMBL6131937 0.86 ADRA1D (0.60) ADRA1DADRA1AADRA1BHTR1AEBP
SCHEMBL6131869 0.86 ADRA1D (0.60) ADRA1DADRA1AADRA1BRBP4HTR1A
SCHEMBL6131810 0.85 ADRA1D (0.55) ADRA1DADRA1AADRA1BHTR1AHTR2C
Hydrochloric Acid SCHEMBL6131853 0.84 ADRA1D (0.54) ADRA1DADRA1AADRA1BHTR1AHTR2C
SCHEMBL6131802 0.83 ADRA1D (0.81) ADRA1DADRA1AADRA1BHTR1A

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 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