SCHEMBL6131898

SCHEMBL6131898

COc1cc(CN2CCN(c3ccccn3)CC2)c(Cl)cc1OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
KDM4E B2RXH2 4/20 0.71
LMNA P02545 4/20 0.71
HTT P42858 3/20 0.71
MAPK1 P28482 3/20 0.71
TSHR P16473 2/20 0.71
RAB9A P51151 3/20 0.59
MAPT P10636 2/20 0.59
NPC1 O15118 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
EHMT2 Q96KQ7 2/20 0.51
USP2 O75604 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NOD2 Q9HC29 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL6131919 0.98 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAHTTMAPK1
SCHEMBL6131821 0.88 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAHTTMAPK1
SCHEMBL6131842 0.86 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAHTTMAPK1
SCHEMBL6131941 0.85 KDM4E (0.56) ALDH1A1KDM4ELMNAHTTMAPK1
SCHEMBL6131828 0.85 KDM4E (0.64) ALDH1A1KDM4ELMNAHTTMAPK1
SCHEMBL4750766 0.83 ALDH1A1 (0.92) ALDH1A1KDM4ELMNAHTTMAPK1
SCHEMBL6131825 0.83 DRD2 (0.58) ALDH1A1KDM4ELMNAHTTMAPK1
SCHEMBL6131809 0.83 DRD2 (0.61) ALDH1A1KDM4ELMNAHTTMAPK1
SCHEMBL6131926 0.83 KDM4E (0.62) ALDH1A1KDM4ELMNAHTTMAPK1
Hydrochloric Acid SCHEMBL7682482 0.82 DRD2 (0.60) ALDH1A1KDM4ELMNAHTTMAPK1

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 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