SCHEMBL6131786

SCHEMBL6131786

COc1cc(C(C)N2CCN(c3ccccc3Cl)CC2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PKM P14618 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
UTS2R Q9UKP6 5/20 0.49
MAPK1 P28482 1/20 0.48
OGA O60502 2/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.44
RBP4 P02753 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
Water SCHEMBL7688833 0.99 GAA (0.51) GAAPOLBL3MBTL1PKMBLM
Water SCHEMBL6131969 0.99 GAA (0.51) GAAPOLBL3MBTL1PKMBLM
SCHEMBL6131939 0.90 GAA (0.55) GAAPOLBSMN1; SMN2UTS2RMAPT
Water SCHEMBL7688250 0.89 GAA (0.54) GAAPOLBSMN1; SMN2UTS2RMAPT
Water SCHEMBL7688253 0.89 GAA (0.54) GAAPOLBSMN1; SMN2UTS2RMAPT
Hydrochloric Acid SCHEMBL7690388 0.88 MAPT (0.53) GAAPOLBSMN1; SMN2UTS2RMAPT
Hydrochloric Acid SCHEMBL7690385 0.88 MAPT (0.53) GAAPOLBSMN1; SMN2UTS2RMAPT
SCHEMBL6131984 0.88 UTS2R (0.49) GAAPOLBL3MBTL1UTS2RMAPT
SCHEMBL6131835 0.87 ALDH1A1 (0.52) GAASMN1; SMN2UTS2RMAPTALDH1A1
Hydrochloric Acid SCHEMBL6132096 0.86 UTS2R (0.48) GAAL3MBTL1UTS2RMAPTALDH1A1

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