SCHEMBL904878

SCHEMBL904878

CC(=O)OC1(c2ccc(C(F)(F)F)cc2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.55
DRD4 P21917 16/20 0.55
DRD3 P35462 16/20 0.55
HTR1A P08908 4/20 0.52
DRD5 P21918 4/20 0.52
HRH2 P25021 4/20 0.52
HTR2A P28223 4/20 0.52
HTR7 P34969 4/20 0.52
OPRM1 P35372 4/20 0.52
OPRK1 P41145 4/20 0.52
HTR6 P50406 4/20 0.52
SLC6A3 Q01959 4/20 0.52
HTR2C P28335 3/20 0.52
OPRD1 P41143 3/20 0.52
ADRA1D P25100 3/20 0.52
HRH1 P35367 3/20 0.52
DRD1 P21728 2/20 0.52
SLC6A2 P23975 2/20 0.52
HTR1D P28221 2/20 0.52
SLC6A4 P31645 2/20 0.52

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
SCHEMBL904897 0.89 DRD2 (0.58) DRD2DRD4DRD3HTR1ADRD5
SCHEMBL905002 0.89 DRD3 (0.57) DRD2DRD4DRD3HTR1ADRD5
SCHEMBL904925 0.89 OPRM1 (0.52) DRD2DRD4DRD3HTR1ADRD5
SCHEMBL905011 0.88 DRD2 (0.71) DRD2DRD4DRD3
SCHEMBL904932 0.88 DRD3 (0.57) DRD2DRD4DRD3HTR1ADRD5
SCHEMBL904887 0.86 OPRM1 (0.71) DRD2DRD4DRD3HTR1ADRD5
SCHEMBL904880 0.84 TACR3 (0.54) DRD2DRD4DRD3HTR1ADRD5
SCHEMBL904917 0.83 DRD3 (0.52) DRD2DRD4DRD3HTR1ADRD5
SCHEMBL904854 0.82 DRD3 (0.50) DRD2DRD4DRD3HTR1ADRD5
SCHEMBL904931 0.81 DRD2 (0.71) DRD2DRD4DRD3HTR1ADRD5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed