SCHEMBL6131773

SCHEMBL6131773

CCOc1ccccc1N1CCN(CCc2ccc(O)c(OC)c2)CC1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 8/20 0.82
ADRA1A P35348 8/20 0.82
ADRA1B P35368 8/20 0.82
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
HTR1A P08908 1/20 0.59
MEN1 O00255 1/20 0.57
TSHR P16473 1/20 0.57

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 0.92 ADRA1D (0.70) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6131986 0.85 LMNA (0.60) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL6131787 0.85 ADRA1D (0.59) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6131802 0.85 ADRA1D (0.81) ADRA1DADRA1AADRA1BKMT2AKDM4E
SCHEMBL6131837 0.84 ALDH1A1 (0.65) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL6131889 0.82 ADRA1D (0.76) ADRA1DADRA1AADRA1BKMT2AKDM4E
SCHEMBL6132007 0.82 ADRA1D (0.76) ADRA1DADRA1AADRA1BKMT2AKDM4E
SCHEMBL6131864 0.82 ADRA1D (0.56) ADRA1DADRA1AADRA1BKMT2AKDM4E
SCHEMBL6131810 0.82 ADRA1D (0.55) ADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL6131853 0.81 ADRA1D (0.54) ADRA1DADRA1AADRA1BHTR1A

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