SCHEMBL6131771

SCHEMBL6131771

CCOc1ccccc1N1CCN(C(C)c2ccc(O)c(OC)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47
UTS2R Q9UKP6 4/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 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
Water SCHEMBL6131862 0.99 KMT2A (0.51) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL6131939 0.91 GAA (0.55) KMT2AMEN1TSHRALDH1A1KDM4E
Water SCHEMBL7688250 0.90 GAA (0.54) KMT2AMEN1TSHRALDH1A1KDM4E
Water SCHEMBL7688253 0.90 GAA (0.54) KMT2AMEN1TSHRALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7690385 0.89 MAPT (0.53) KMT2AMEN1TSHRALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7690388 0.89 MAPT (0.53) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL6131801 0.85 KMT2A (0.52) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL6131786 0.84 GAA (0.52) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL6131984 0.84 UTS2R (0.49) ALDH1A1KDM4EL3MBTL1ADRA1DADRA1A
SCHEMBL6131835 0.83 ALDH1A1 (0.52) KMT2AMEN1TSHRALDH1A1KDM4E

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