SCHEMBL6131779

SCHEMBL6131779

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.64
LMNA P02545 4/20 0.64
HTT P42858 4/20 0.64
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
HSD17B10 Q99714 2/20 0.64
RAB9A P51151 2/20 0.64
ALDH1A1 P00352 2/20 0.64
TP53 P04637 1/20 0.64
MAPK1 P28482 1/20 0.64
PAX8 Q06710 1/20 0.64
KLF5 Q13887 1/20 0.64
GAA P10253 1/20 0.64
DRD2 P14416 4/20 0.63
DRD4 P21917 4/20 0.63
DRD3 P35462 4/20 0.63
HRH1 P35367 3/20 0.63
HRH2 P25021 3/20 0.62
ALOX15 P16050 1/20 0.61

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
SCHEMBL6131833 0.86 KDM4E (0.71) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL6131816 0.84 KDM4E (0.68) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL6131822 0.83 KDM4E (0.74) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL9720709 0.82 KDM4E (0.71) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL6131961 0.82 DRD2 (0.58) KDM4ELMNAHTTMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7689058 0.81 KDM4E (0.71) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL6131963 0.81 KDM4E (0.60) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL6131838 0.80 DRD2 (0.56) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL7680660 0.80 MAPK1 (0.58) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL6131901 0.80 KDM4E (0.62) KDM4ELMNAHTTMAPTSMN1; 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 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