SCHEMBL904873

SCHEMBL904873

CC(=O)NC1(c2ccc(C)cc2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.54
DRD3 P35462 9/20 0.54
HTR2A P28223 7/20 0.54
OPRK1 P41145 7/20 0.54
SLC6A3 Q01959 7/20 0.54
OPRD1 P41143 6/20 0.54
HRH1 P35367 6/20 0.54
ADRA1A P35348 5/20 0.54
SLC6A2 P23975 4/20 0.54
SLC6A4 P31645 4/20 0.54
HTR2B P41595 4/20 0.54
ADORA3 P0DMS8 4/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ADRA2B P18089 3/20 0.54
ADRA2C P18825 3/20 0.54
LMNA P02545 3/20 0.54
MLNR O43193 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
SCHEMBL904909 0.96 CYP3A4 (0.57) DRD2DRD3HTR2AOPRK1SLC6A3
SCHEMBL904872 0.91 CYP3A4 (0.55) DRD2DRD3HTR2AOPRK1SLC6A3
SCHEMBL904871 0.91 DRD2 (0.58) DRD2DRD3HTR2AOPRK1SLC6A3
SCHEMBL904879 0.91 CYP3A4 (0.53) DRD2DRD3HTR2AOPRK1SLC6A3
SCHEMBL904929 0.89 TACR3 (0.55) DRD2DRD3HTR2AOPRK1SLC6A3
SCHEMBL904880 0.89 TACR3 (0.54) DRD2DRD3HTR2AOPRK1SLC6A3
SCHEMBL904936 0.87 CYP2C19 (0.63) DRD2DRD3HTR2AOPRK1SLC6A3
SCHEMBL904897 0.83 DRD2 (0.58) DRD2DRD3HTR2AOPRK1SLC6A3
SCHEMBL904857 0.83 DRD2 (0.65) DRD2DRD3HTR2AOPRK1SLC6A3
SCHEMBL904881 0.83 OPRM1 (0.73) DRD2DRD3HTR2AOPRK1SLC6A3

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