SCHEMBL6131856

SCHEMBL6131856

COc1ccccc1N1CCN(Cc2cccc(O)c2Cl)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
HTR7 P34969 6/20 0.65
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 1/20 0.64
MEN1 O00255 1/20 0.63
TSHR P16473 1/20 0.63
MAPT P10636 3/20 0.62
LMNA P02545 3/20 0.62
HTT P42858 3/20 0.62
TDP1 Q9NUW8 1/20 0.62
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
MAPK1 P28482 1/20 0.60
DRD2 P14416 1/20 0.60
DRD4 P21917 1/20 0.60
HRH2 P25021 1/20 0.60
HRH1 P35367 1/20 0.60
DRD3 P35462 1/20 0.60
ALOX12 P18054 1/20 0.59
NFKB1 P19838 1/20 0.59

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
SCHEMBL9720709 0.89 KDM4E (0.71) KDM4EHTR7KMT2AALDH1A1MEN1
SCHEMBL6131822 0.82 KDM4E (0.74) KDM4EHTR7KMT2AALDH1A1TSHR
SCHEMBL6131833 0.82 KDM4E (0.71) KDM4EHTR7KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL7689058 0.80 KDM4E (0.71) KDM4EHTR7KMT2AALDH1A1TSHR
SCHEMBL6131816 0.80 KDM4E (0.68) KDM4EHTR7KMT2AALDH1A1TSHR
SCHEMBL6131811 0.80 KDM4E (0.78) KDM4EHTR7KMT2AALDH1A1TSHR
SCHEMBL15937830 0.79 HTR7 (1.00) KDM4EHTR7MAPTLMNAHTT
SCHEMBL15937713 0.78 HTR7 (1.00) KDM4EHTR7KMT2AALDH1A1LMNA
SCHEMBL9720681 0.78 MAPK1 (0.78) KDM4EHTR7KMT2AALDH1A1LMNA
SCHEMBL9225440 0.77 MAPK1 (0.81) KDM4EHTR7ALDH1A1LMNAHTT

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 3 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