SCHEMBL6132095

SCHEMBL6132095

COc1cc(CN2CCN(c3ccccn3)CC2)ccc1OC(=O)N(C)C

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
KDM4E B2RXH2 4/20 0.64
LMNA P02545 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
HTT P42858 1/20 0.64
HSD17B10 Q99714 2/20 0.60
HPGD P15428 1/20 0.60
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
BCHE P06276 1/20 0.53
MAOA P21397 1/20 0.53
ACHE P22303 1/20 0.53
MAOB P27338 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 0.50

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
SCHEMBL6131908 0.90 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATSHRMAPK1
Hydrochloric Acid SCHEMBL6132036 0.90 ALDH1A1 (0.57) ALDH1A1KDM4ELMNATSHRMAPK1
SCHEMBL6131872 0.88 ALDH1A1 (0.64) ALDH1A1KDM4ELMNATSHRMAPK1
Hydrochloric Acid SCHEMBL6131888 0.87 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRMAPK1
SCHEMBL6131916 0.84 ALDH1A1 (0.67) ALDH1A1KDM4ELMNATSHRMAPK1
SCHEMBL6131859 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ELMNATSHRMAPK1
SCHEMBL6131848 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ELMNATSHRMAPK1
SCHEMBL7686968 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ELMNATSHRMAPK1
SCHEMBL6131832 0.84 KDM4E (0.63) ALDH1A1KDM4EMAPK1KMT2ABCHE
Hydrochloric Acid SCHEMBL7690284 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ELMNATSHRMAPK1

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