SCHEMBL6131831

SCHEMBL6131831

CN(C)C(=O)Oc1ccc(CCN2CCN(c3ccccn3)CC2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.50
HTR2A P28223 4/20 0.50
DRD2 P14416 3/20 0.50
HTR7 P34969 3/20 0.50
DRD3 P35462 3/20 0.50
HTR2C P28335 2/20 0.50
DRD4 P21917 3/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
DRD5 P21918 1/20 0.48
HRH1 P35367 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
CHRNA7 P36544 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
SCHEMBL6131908 0.89 ALDH1A1 (0.58) HTR1AHTR2ADRD2HTR7DRD3
Hydrochloric Acid SCHEMBL6132036 0.88 ALDH1A1 (0.57) HTR1AHTR2ADRD2HTR7DRD3
SCHEMBL6131881 0.84 HTR1A (0.58) HTR1AHTR2ADRD2HTR7DRD3
Hydrochloric Acid SCHEMBL6131899 0.83 HTR1A (0.57) HTR1AHTR2ADRD2HTR7DRD3
SCHEMBL6132095 0.79 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6131982 0.78 HTR1A (0.59) HTR1AHTR2ADRD2HTR7DRD3
SCHEMBL7697105 0.78 OGA (0.52) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6131783 0.77 HTR1A (0.57) HTR1AHTR2ADRD2HTR7DRD3
Hydrochloric Acid SCHEMBL6131948 0.75 ADRA1D (0.54) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL6131854 0.74 HTR1A (0.58) HTR1AHTR2ADRD2HTR7DRD3

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