SCHEMBL6131943

SCHEMBL6131943

CNC(=O)Oc1ccc(CN2CCN(c3ccccc3OC)CC2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 2/20 0.63
KMT2A Q03164 1/20 0.63
DRD2 P14416 2/20 0.62
DRD4 P21917 2/20 0.62
DRD3 P35462 1/20 0.62
HTR7 P34969 5/20 0.62
POLB P06746 1/20 0.59
MAPK1 P28482 1/20 0.58
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
HTR1A P08908 1/20 0.55
HTR6 P50406 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL6131861 0.96 ALDH1A1 (0.66) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL6131830 0.92 KDM4E (0.62) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL6132010 0.92 GAA (0.62) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL6131795 0.91 ALDH1A1 (0.67) KDM4EALDH1A1KMT2ADRD2DRD4
Hydrochloric Acid SCHEMBL6131834 0.90 KDM4E (0.60) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL6131917 0.89 HTR7 (0.53) KDM4EALDH1A1KMT2ADRD2DRD4
Hydrochloric Acid SCHEMBL6131911 0.89 ALDH1A1 (0.65) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL6131995 0.88 MAPT (0.61) KDM4EALDH1A1KMT2AMAPK1TSHR
SCHEMBL6131915 0.87 ALDH1A1 (0.56) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL6131832 0.87 KDM4E (0.63) KDM4EALDH1A1KMT2ADRD2DRD4

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