SCHEMBL904868

SCHEMBL904868

N#CC1(c2ccc(C(F)(F)F)cc2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.54
DRD3 P35462 6/20 0.54
OPRM1 P35372 5/20 0.54
SLC6A2 P23975 4/20 0.54
HTR2A P28223 4/20 0.54
HTR2C P28335 4/20 0.54
SLC6A4 P31645 4/20 0.54
OPRD1 P41143 4/20 0.54
OPRK1 P41145 4/20 0.54
HTR2B P41595 4/20 0.54
HTR6 P50406 4/20 0.54
SLC6A3 Q01959 4/20 0.54
HTR1A P08908 3/20 0.54
DRD1 P21728 3/20 0.54
DRD4 P21917 3/20 0.54
DRD5 P21918 3/20 0.54
HRH2 P25021 3/20 0.54
HTR1D P28221 3/20 0.54
HTR7 P34969 3/20 0.54
HTR5A P47898 2/20 0.54

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
SCHEMBL904840 0.92 CCR1 (0.53) DRD2DRD3OPRM1SLC6A2HTR2A
SCHEMBL904842 0.88 OPRM1 (0.54) DRD2DRD3OPRM1SLC6A2HTR2A
SCHEMBL904824 0.88 OPRM1 (0.59) DRD2DRD3OPRM1SLC6A2HTR2A
SCHEMBL904861 0.87 CCR1 (0.61) DRD2DRD3OPRM1SLC6A2HTR2A
SCHEMBL904906 0.87 DRD2 (0.48) DRD2DRD3OPRM1SLC6A2HTR2A
SCHEMBL904903 0.87 ADRA1A (0.55) DRD2DRD3OPRM1SLC6A2HTR2A
SCHEMBL904895 0.84 DRD2 (0.75) DRD2DRD3OPRM1SLC6A2HTR2A
SCHEMBL904931 0.84 DRD2 (0.71) DRD2DRD3OPRM1SLC6A2HTR2A
SCHEMBL904869 0.82 OPRM1 (0.49) DRD2DRD3OPRM1SLC6A2HTR2A
SCHEMBL904886 0.79 ADRA1A (0.49) DRD2DRD3OPRM1SLC6A2HTR2A

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