SCHEMBL6131934

SCHEMBL6131934

COc1cc(C(C)N2CCN(c3ccccc3C)CC2)ccc1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 6/20 0.52
GAA P10253 1/20 0.49
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
ABCB1 P08183 2/20 0.45

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
SCHEMBL6131793 0.91 GAA (0.59) UTS2RGAA
SCHEMBL6131867 0.89 UTS2R (0.52) UTS2RGAAHTR1AHTR1DHTR1B
SCHEMBL6131776 0.88 UTS2R (0.52) UTS2RGAAHTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL7691264 0.87 UTS2R (0.49) UTS2RHTR1AHTR1DHTR1B
SCHEMBL6131801 0.86 KMT2A (0.52) UTS2RGAA
SCHEMBL6131818 0.86 RBP4 (0.51) UTS2RGAA
SCHEMBL6131984 0.83 UTS2R (0.49) UTS2RGAA
Hydrochloric Acid SCHEMBL6132096 0.81 UTS2R (0.48) UTS2RGAA
SCHEMBL6132081 0.80 UTS2R (0.52) UTS2RGAA
SCHEMBL6131863 0.79 HRH3 (0.51)

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 4 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
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US 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