SCHEMBL904903

SCHEMBL904903

Cc1ccc(C2(C#N)CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.55
ADRA1D P25100 4/20 0.55
OPRM1 P35372 5/20 0.51
DRD2 P14416 5/20 0.48
SLC6A2 P23975 4/20 0.48
HTR2A P28223 4/20 0.48
SLC6A4 P31645 4/20 0.48
DRD3 P35462 4/20 0.48
OPRD1 P41143 4/20 0.48
OPRK1 P41145 4/20 0.48
HTR2B P41595 4/20 0.48
SLC6A3 Q01959 4/20 0.48
ADRA2B P18089 3/20 0.48
ADRA2C P18825 3/20 0.48
HRH1 P35367 3/20 0.48
HTR2C P28335 3/20 0.48
HTR6 P50406 3/20 0.48
HTR1A P08908 2/20 0.48
DRD1 P21728 2/20 0.48
DRD4 P21917 2/20 0.48

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 0.94 CCR1 (0.53) ADRA1AADRA1DOPRM1DRD2SLC6A2
SCHEMBL904824 0.90 OPRM1 (0.59) ADRA1AADRA1DOPRM1DRD2SLC6A2
SCHEMBL904861 0.89 CCR1 (0.61) ADRA1DOPRM1DRD2SLC6A2HTR2A
SCHEMBL904906 0.89 DRD2 (0.48) ADRA1AADRA1DOPRM1DRD2SLC6A2
SCHEMBL904886 0.87 ADRA1A (0.49) ADRA1AADRA1DOPRM1DRD2SLC6A2
SCHEMBL904868 0.87 DRD2 (0.54) ADRA1AADRA1DOPRM1DRD2SLC6A2
SCHEMBL904869 0.83 OPRM1 (0.49) ADRA1AADRA1DOPRM1DRD2SLC6A2
SCHEMBL904857 0.83 DRD2 (0.65) ADRA1DOPRM1DRD2SLC6A2HTR2A
SCHEMBL904895 0.80 DRD2 (0.75) ADRA1DOPRM1DRD2SLC6A2HTR2A
SCHEMBL904842 0.79 OPRM1 (0.54) ADRA1AADRA1DOPRM1DRD2SLC6A2

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