SCHEMBL6131908

SCHEMBL6131908

COc1cc(CCN2CCN(c3ccccn3)CC2)ccc1OC(=O)N(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 2/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 1/20 0.58
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR1A P08908 2/20 0.51
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
DRD3 P35462 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
Hydrochloric Acid SCHEMBL6132036 0.99 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL6132095 0.90 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL6131831 0.89 HTR1A (0.50) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL6131988 0.84 DRD3 (0.48) NPC1RAB9AMEN1KMT2ADRD2
SCHEMBL6132048 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL6131914 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL6131925 0.83 ADRA1D (0.57) ALDH1A1KDM4ETSHRKMT2AHTR1A
SCHEMBL6131790 0.83 ADRA1D (0.57) MEN1KMT2AHTR1ADRD2DRD3
SCHEMBL6131889 0.82 ADRA1D (0.76) ALDH1A1KDM4EKMT2AHTR1AADRA1D
SCHEMBL6131854 0.82 HTR1A (0.58) ALDH1A1KDM4EHPGDHSD17B10LMNA

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