SCHEMBL6131931

SCHEMBL6131931

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.53
ADRA1A P35348 4/20 0.53
ADRA1B P35368 4/20 0.53
RBP4 P02753 1/20 0.50
HTR1A P08908 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
KCNH2 Q12809 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
EBP Q15125 1/20 0.46

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 SCHEMBL6131923 0.99 ADRA1D (0.52) ADRA1DADRA1AADRA1BRBP4HTR1A
SCHEMBL6131819 0.90 ADRA1D (0.56) ADRA1DADRA1AADRA1BRBP4HTR1A
SCHEMBL6131894 0.89 ADRA1D (0.53) ADRA1DADRA1AADRA1BRBP4HTR1A
SCHEMBL6131790 0.87 ADRA1D (0.57) ADRA1DADRA1AADRA1BHTR1ASIGMAR1
SCHEMBL6131925 0.87 ADRA1D (0.57) ADRA1DADRA1AADRA1BHTR1ASIGMAR1
Hydrochloric Acid SCHEMBL6131948 0.86 ADRA1D (0.54) ADRA1DADRA1AADRA1BSIGMAR1KCNH2
SCHEMBL6131889 0.84 ADRA1D (0.76) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6131810 0.83 ADRA1D (0.55) ADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL6131853 0.82 ADRA1D (0.54) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6131908 0.80 ALDH1A1 (0.58) 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 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