SCHEMBL6131833

SCHEMBL6131833

COc1cc(Cl)c(CN2CCN(c3ccccc3OC)CC2)cc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.71
MAPT P10636 3/20 0.71
HTR7 P34969 4/20 0.64
LMNA P02545 3/20 0.64
HTT P42858 3/20 0.64
TDP1 Q9NUW8 1/20 0.64
GAA P10253 1/20 0.64
DRD2 P14416 4/20 0.62
DRD4 P21917 4/20 0.62
HRH1 P35367 4/20 0.62
DRD3 P35462 4/20 0.62
HRH2 P25021 3/20 0.62
TSHR P16473 1/20 0.60
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
ALOX12 P18054 1/20 0.58
NFKB1 P19838 1/20 0.58
MPI P34949 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL6131816 0.98 KDM4E (0.68) KDM4EMAPTHTR7LMNAHTT
SCHEMBL6131822 0.95 KDM4E (0.74) KDM4EMAPTHTR7LMNAHTT
SCHEMBL6131901 0.94 KDM4E (0.62) KDM4EMAPTHTR7LMNAHTT
Hydrochloric Acid SCHEMBL7689058 0.93 KDM4E (0.71) KDM4EMAPTHTR7LMNAHTT
SCHEMBL6131826 0.92 KDM4E (0.60) KDM4EMAPTHTR7LMNAHTT
SCHEMBL6131927 0.89 KDM4E (0.65) KDM4EMAPTHTR7LMNAHTT
SCHEMBL6131811 0.86 KDM4E (0.78) KDM4EMAPTHTR7LMNAHTT
SCHEMBL6131779 0.86 KDM4E (0.64) KDM4EMAPTHTR7LMNAHTT
SCHEMBL9720709 0.82 KDM4E (0.71) KDM4EMAPTHTR7LMNAHTT
SCHEMBL6131856 0.82 KDM4E (0.67) KDM4EMAPTHTR7LMNAHTT

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 4 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
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