SCHEMBL6131905

SCHEMBL6131905

C#CCOc1cc(CN2CCCCC2)ccc1OC

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.63
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SIGMAR1 Q99720 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
Bromide SCHEMBL6132084 0.99 DRD2 (0.61) DRD2KMT2AMEN1GAAMAPK1
SCHEMBL7680831 0.99 DRD2 (0.64) DRD2KMT2AMEN1GAAMAPK1
Hydrochloric Acid SCHEMBL6132064 0.97 DRD2 (0.63) DRD2KMT2AMEN1GAAMAPK1
SCHEMBL5667128 0.88 DRD2 (0.65) DRD2KMT2AMEN1MAPK1HSD17B10
Hydrochloric Acid SCHEMBL5667186 0.87 DRD2 (0.64) DRD2KMT2AMEN1MAPK1HSD17B10
SCHEMBL6131946 0.87 HTT (0.61) DRD2KMT2AMEN1MAPK1HSD17B10
SCHEMBL6131868 0.85 MAPK1 (0.52) DRD2KMT2AMEN1GAAMAPK1
SCHEMBL28191613 0.84 GAA (0.66) KMT2AMEN1GAAMAPK1SIGMAR1
SCHEMBL16884151 0.83 GAA (0.63) KMT2AMEN1GAAMAPK1SIGMAR1
SCHEMBL7688903 0.81 KDM4E (0.53) DRD2KMT2AMEN1GAAKDM4E

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