SCHEMBL6131939

SCHEMBL6131939

COc1cc(C(C)N2CCN(c3ccccc3OC)CC2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.52
UTS2R Q9UKP6 3/20 0.51
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.48
IGF1R P08069 1/20 0.47
TSHR P16473 2/20 0.47

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 SCHEMBL7688250 0.99 GAA (0.54) GAAMAPTPOLBUTS2RDRD2
Water SCHEMBL7688253 0.99 GAA (0.54) GAAMAPTPOLBUTS2RDRD2
Hydrochloric Acid SCHEMBL7690388 0.98 MAPT (0.53) GAAMAPTPOLBUTS2RDRD2
Hydrochloric Acid SCHEMBL7690385 0.98 MAPT (0.53) GAAMAPTPOLBUTS2RDRD2
SCHEMBL6131771 0.91 KMT2A (0.52) GAAMAPTPOLBUTS2RDRD2
SCHEMBL6131984 0.90 UTS2R (0.49) GAAMAPTPOLBUTS2RADRA1D
SCHEMBL6131786 0.90 GAA (0.52) GAAMAPTPOLBUTS2RALDH1A1
Water SCHEMBL6131862 0.90 KMT2A (0.51) GAAMAPTPOLBUTS2RDRD2
SCHEMBL6131835 0.89 ALDH1A1 (0.52) GAAMAPTUTS2RALDH1A1MEN1
Water SCHEMBL7688833 0.89 GAA (0.51) GAAMAPTPOLBUTS2RALDH1A1

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