SCHEMBL6131791

SCHEMBL6131791

C#CCOc1cc(CN(C)CCc2ccc(OC)c(OC)c2)ccc1OC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
BLM P54132 2/20 0.62
CYP2C9 P11712 1/20 0.62
PMP22 Q01453 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 2/20 0.58
AOC3 Q16853 1/20 0.52
SMPD1 P17405 2/20 0.48
ACHE P22303 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
SCHEMBL6131892 0.91 MEN1 (0.67) KDM4ECYP1A2CYP3A4CYP2D6BLM
Citric Acid SCHEMBL6131788 0.85 KDM4E (0.50) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL6131836 0.84 HTR7 (0.50) KDM4ECYP1A2CYP3A4CYP2D6BLM
Hydrochloric Acid SCHEMBL6131979 0.82 HTR7 (0.49) KDM4ECYP1A2CYP3A4CYP2D6BLM
Citric Acid SCHEMBL6131999 0.80 MEN1 (0.53) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL7430428 0.79 CYP1A2 (1.00) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL8836555 0.79 CYP1A2 (0.69) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL8789896 0.79 CYP1A2 (0.69) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL10390463 0.78 KDM4E (0.80) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL514870 0.78 KMT2A (0.82) KDM4ECYP1A2CYP3A4CYP2D6BLM

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