SCHEMBL7754368

SCHEMBL7754368

CN(CC(O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.49
HTR2A P28223 3/20 0.49
ADRA1A P35348 3/20 0.49
HRH1 P35367 3/20 0.49
DRD3 P35462 3/20 0.49
OPRD1 P41143 3/20 0.49
OPRK1 P41145 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CACNA1F O60840 2/20 0.49
DRD4 P21917 2/20 0.49
DRD5 P21918 2/20 0.49
HRH2 P25021 2/20 0.49
ADRA1D P25100 2/20 0.49
HTR7 P34969 2/20 0.49
ADRA1B P35368 2/20 0.49
OPRM1 P35372 2/20 0.49
HTR6 P50406 2/20 0.49
CACNA1D Q01668 2/20 0.49
CACNA1S Q13698 2/20 0.49

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
SCHEMBL8611834 0.91 DRD3 (0.47) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL8616344 0.89 MEN1 (0.55) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL8611826 0.86 SLC6A3 (0.52) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL8614994 0.86 SLC6A3 (0.52) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL8614300 0.86 OPRK1 (0.46) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL7751425 0.85 SLC6A3 (0.51) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL7755946 0.85 PER2 (0.54) SLC6A3HTR2AADRA1AHRH1DRD3
Hydrochloric Acid SCHEMBL8651303 0.84 PER2 (0.53) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL8613598 0.82 SLC6A3 (0.48) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL8613588 0.81 CYP3A4 (0.49) SLC6A3HTR2AADRA1AHRH1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706796-B1 DOPAMINE RE-UPTAKE INHIBITORS FOR THE TREATMENT OF PARKINSON'S SYNDROME POLA CHEM IND INC (JP) 2001-02-28 EP claimed
US-5747493-A N-/DIPHENYLALKYL/-PIPERAZINYL-2-HYDROXYPROPYLAMINES POLA CHEMICAL INDUSTRIES, INC. (JP) 1998-05-05 US claimed
EP-0706796-A1 DOPAMINE REINCORPORATION INHIBITOR POLA CHEMICAL INDUSTRIES, INC. (JP) 1996-04-17 EP claimed
EP-0549796-B1 DIPHENYLPIPERAZINE DERIVATIVE AND DRUG FOR CIRCULATORY ORGAN CONTAINING THE SAME POLA CHEM IND INC (JP) 1998-04-29 EP disclosed
US-5391552-A Has strong antagonism against calcium with less side effects POLA CHEMICAL INDUSTRIES, INC. (JP) 1995-02-21 US disclosed
EP-0612738-A1 Diphenylpiperazine derivative and drug for circulatory organ containing the same POLA CHEMICAL INDUSTRIES, INC. (JP) 1994-08-31 EP disclosed
EP-0549796-A1 DIPHENYLPIPERAZINE DERIVATIVE AND DRUG FOR CIRCULATORY ORGAN CONTAINING THE SAME POLA CHEMICAL INDUSTRIES INC (JP) 1993-07-07 EP disclosed