SCHEMBL8614994

SCHEMBL8614994

COC(CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)CN(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.52
SLC6A4 P31645 3/20 0.52
HTR2A P28223 4/20 0.46
ADRA1A P35348 4/20 0.46
HRH1 P35367 4/20 0.46
DRD3 P35462 4/20 0.46
OPRK1 P41145 4/20 0.46
HTR7 P34969 4/20 0.46
OPRD1 P41143 3/20 0.46
CACNA1F O60840 3/20 0.46
DRD4 P21917 3/20 0.46
DRD5 P21918 3/20 0.46
HRH2 P25021 3/20 0.46
ADRA1D P25100 3/20 0.46
ADRA1B P35368 3/20 0.46
OPRM1 P35372 3/20 0.46
HTR6 P50406 3/20 0.46
CACNA1D Q01668 3/20 0.46
CACNA1S Q13698 3/20 0.46
CACNA1C Q13936 3/20 0.46

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
SCHEMBL8613598 0.89 SLC6A3 (0.48) SLC6A3SLC6A4HTR2AADRA1AHRH1
SCHEMBL7754368 0.86 SLC6A3 (0.49) SLC6A3SLC6A4HTR2AADRA1AHRH1
SCHEMBL7755948 0.81 SLC6A3 (0.52) SLC6A3SLC6A4HTR2AADRA1AHRH1
SCHEMBL9142362 0.81 SLC6A3 (0.52) SLC6A3SLC6A4HTR2AADRA1AHRH1
Hydrochloric Acid SCHEMBL9144873 0.80 SLC6A3 (0.51) SLC6A3SLC6A4HTR2AADRA1AHRH1
Hydrochloric Acid SCHEMBL7545277 0.80 SLC6A3 (0.51) SLC6A3SLC6A4HTR2AADRA1AHRH1
Hydrochloric Acid SCHEMBL8630068 0.77 MEN1 (0.48) SLC6A3SLC6A4HTR2AADRA1AHRH1
SCHEMBL8611925 0.77 SLC6A3 (0.48) SLC6A3SLC6A4HTR2AADRA1AHRH1
SCHEMBL8611834 0.77 DRD3 (0.47) SLC6A3SLC6A4HTR2AADRA1AHRH1
SCHEMBL8616344 0.77 MEN1 (0.55) SLC6A3SLC6A4HTR2AADRA1AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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