SCHEMBL6131769

SCHEMBL6131769

COc1cc(CN2CCN(c3ccccc3F)CC2)ccc1OC(=O)N(C)C

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
KDM4E B2RXH2 6/20 0.65
TDP1 Q9NUW8 2/20 0.65
GAA P10253 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ALOX15 P16050 2/20 0.57
POLB P06746 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 2/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
BCHE P06276 1/20 0.54
MAOA P21397 1/20 0.54
ACHE P22303 1/20 0.54
MAOB P27338 1/20 0.54
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL6131832 0.91 KDM4E (0.63) ALDH1A1KDM4EPOLBMAPK1KMT2A
Hydrochloric Acid SCHEMBL6131893 0.90 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2POLBMAPK1
SCHEMBL6131962 0.89 KDM4E (0.62) ALDH1A1KDM4EGAAALOX15KMT2A
SCHEMBL6131975 0.89 BCHE (0.57) ALDH1A1KDM4ETDP1ALOX15KMT2A
SCHEMBL6131998 0.89 KDM4E (0.66) ALDH1A1KDM4ETDP1ALOX15POLB
Hydrochloric Acid SCHEMBL6131948 0.89 ADRA1D (0.54) ALDH1A1KDM4ETDP1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL6131817 0.88 BCHE (0.56) ALDH1A1KDM4ETDP1ALOX15KMT2A
Hydrochloric Acid SCHEMBL6131814 0.88 KDM4E (0.61) ALDH1A1KDM4EGAAALOX15KMT2A
SCHEMBL6131795 0.88 ALDH1A1 (0.67) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL6131807 0.87 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1GAASMN1; SMN2

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