SCHEMBL6131984

SCHEMBL6131984

COc1cc(C(C)N2CCN(c3ccccc3C)CC2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.49
ADRB2 P07550 3/20 0.47
ADRB1 P08588 3/20 0.47
ADRB3 P13945 3/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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 SCHEMBL6132096 0.98 UTS2R (0.48) UTS2RADRB2ADRB1ADRB3ADRA1D
SCHEMBL6131939 0.90 GAA (0.55) UTS2RADRB2ADRB1ADRB3ADRA1D
Water SCHEMBL7688253 0.89 GAA (0.54) UTS2RADRB2ADRB1ADRB3ADRA1D
Water SCHEMBL7688250 0.89 GAA (0.54) UTS2RADRB2ADRB1ADRB3ADRA1D
Hydrochloric Acid SCHEMBL7690385 0.88 MAPT (0.53) UTS2RADRB2ADRB1ADRB3ADRA1D
SCHEMBL6131786 0.88 GAA (0.52) UTS2RMAPTGAAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7690388 0.88 MAPT (0.53) UTS2RADRB2ADRB1ADRB3ADRA1D
SCHEMBL6131835 0.87 ALDH1A1 (0.52) UTS2RMAPTGAALMNAALDH1A1
Water SCHEMBL7688833 0.87 GAA (0.51) UTS2RMAPTGAAALDH1A1KDM4E
Water SCHEMBL6131969 0.87 GAA (0.51) UTS2RMAPTGAAALDH1A1KDM4E

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 7 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
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