SCHEMBL6131867

SCHEMBL6131867

COc1cc(C(C)N2CCN(c3ccccc3Cl)CC2)ccc1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.52
OGA O60502 2/20 0.49
GAA P10253 1/20 0.49
RBP4 P02753 1/20 0.49
MAPK1 P28482 1/20 0.49
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL6131793 0.91 GAA (0.59) UTS2RGAAMAPK1
SCHEMBL6131934 0.89 UTS2R (0.52) UTS2RGAAHTR1AHTR1DHTR1B
SCHEMBL7688848 0.89 UTS2R (0.50) UTS2ROGARBP4MAPK1HTR1A
SCHEMBL6131776 0.88 UTS2R (0.52) UTS2RGAAHTR1AHTR1DHTR1B
SCHEMBL6131801 0.86 KMT2A (0.52) UTS2RGAA
SCHEMBL6131818 0.86 RBP4 (0.51) UTS2RGAARBP4
SCHEMBL6131786 0.83 GAA (0.52) UTS2ROGAGAARBP4MAPK1
Water SCHEMBL6131969 0.82 GAA (0.51) UTS2ROGAGAARBP4MAPK1
Water SCHEMBL7688833 0.82 GAA (0.51) UTS2ROGAGAARBP4MAPK1
SCHEMBL6132081 0.80 UTS2R (0.52) UTS2RGAA

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