SCHEMBL6131837

SCHEMBL6131837

COc1cc(CCN2CCN(c3ccccc3F)CC2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
KDM4E B2RXH2 3/20 0.65
GAA P10253 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
ADRA1D P25100 4/20 0.58
ADRA1A P35348 4/20 0.58
ADRA1B P35368 4/20 0.58
HTR1A P08908 2/20 0.56
DRD2 P14416 1/20 0.53
DRD1 P21728 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL6131940 0.90 ADRA1D (0.70) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6131986 0.87 LMNA (0.60) ALDH1A1KDM4EGAAADRA1DADRA1A
SCHEMBL6131787 0.87 ADRA1D (0.59) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6131810 0.86 ADRA1D (0.55) ADRA1DADRA1AADRA1BHTR1ADRD2
Hydrochloric Acid SCHEMBL6131853 0.85 ADRA1D (0.54) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6131773 0.84 ADRA1D (0.82) ALDH1A1KDM4EADRA1DADRA1AADRA1B
SCHEMBL6131777 0.84 ADRA1D (0.59) ALDH1A1KDM4EGAASMN1; SMN2TDP1
SCHEMBL6131799 0.81 ADRA1D (0.56) ALDH1A1KDM4EGAASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL6131880 0.81 TMEM97 (0.55) ALDH1A1KDM4EGAASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL6131948 0.80 ADRA1D (0.54) ALDH1A1KDM4EGAASMN1; SMN2TDP1

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