SCHEMBL6131790

SCHEMBL6131790

COc1cc(CCN2CCN(c3ccccc3Cl)CC2)ccc1OC(=O)N(C)C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.57
ADRA1A P35348 3/20 0.57
ADRA1B P35368 3/20 0.57
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
EBP Q15125 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
HTR1A P08908 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49

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
SCHEMBL6131925 0.90 ADRA1D (0.57) ADRA1DADRA1AADRA1BKMT2AEBP
SCHEMBL6131975 0.90 BCHE (0.57) DRD2DRD4DRD3KMT2A
Hydrochloric Acid SCHEMBL6131817 0.89 BCHE (0.56) DRD2DRD4DRD3KMT2A
SCHEMBL6131869 0.89 ADRA1D (0.60) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL6131874 0.88 ADRA1D (0.57) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL6131889 0.88 ADRA1D (0.76) ADRA1DADRA1AADRA1BKMT2AHTR1A
Hydrochloric Acid SCHEMBL6131948 0.88 ADRA1D (0.54) ADRA1DADRA1AADRA1BKMT2ASIGMAR1
SCHEMBL6131931 0.87 ADRA1D (0.53) ADRA1DADRA1AADRA1BEBPSIGMAR1
Mefeclorazine SCHEMBL2110367 0.86 ADRA1D (0.73) ADRA1DADRA1AADRA1BDRD2DRD4
Hydrochloric Acid SCHEMBL6131923 0.86 ADRA1D (0.52) ADRA1DADRA1AADRA1BSIGMAR1HTR1A

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 6 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
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