SCHEMBL7754872

SCHEMBL7754872

OC(CNc1ccc(Cl)c(Cl)c1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.47
HTR2A P28223 7/20 0.47
DRD3 P35462 7/20 0.47
OPRK1 P41145 7/20 0.47
OPRD1 P41143 6/20 0.47
DRD4 P21917 6/20 0.47
DRD5 P21918 6/20 0.47
HRH2 P25021 6/20 0.47
HTR7 P34969 6/20 0.47
OPRM1 P35372 6/20 0.47
HTR6 P50406 6/20 0.47
HRH1 P35367 5/20 0.47
HTR1A P08908 5/20 0.47
DRD2 P14416 5/20 0.47
HTR2C P28335 5/20 0.47
SLC6A2 P23975 5/20 0.47
SLC6A4 P31645 5/20 0.47
ADRA1D P25100 4/20 0.47
HTR2B P41595 4/20 0.47
DRD1 P21728 4/20 0.47

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
SCHEMBL7754343 0.90 CYP3A4 (0.53) SLC6A3HTR2ADRD3OPRK1OPRD1
SCHEMBL7754861 0.89 DRD3 (0.48) SLC6A3HTR2ADRD3OPRK1OPRD1
Hydrochloric Acid SCHEMBL7542285 0.88 MEN1 (0.54) SLC6A3HTR2ADRD3OPRK1OPRD1
SCHEMBL9416417 0.88 SLC6A3 (0.42) SLC6A3HTR2ADRD3OPRK1OPRD1
SCHEMBL7751395 0.85 CYP3A4 (0.49) SLC6A3HTR2ADRD3OPRK1OPRD1
SCHEMBL8616378 0.85 CYP3A4 (0.51) SLC6A3HTR2ADRD3OPRK1OPRD1
SCHEMBL4760958 0.85 CYP3A4 (0.51) SLC6A3HTR2ADRD3OPRK1OPRD1
SCHEMBL8615736 0.85 CYP3A4 (0.51) SLC6A3HTR2ADRD3OPRK1OPRD1
SCHEMBL7754348 0.85 SLC6A3 (0.52) SLC6A3HTR2ADRD3OPRK1OPRD1
SCHEMBL7754359 0.85 CYP3A4 (0.48) SLC6A3HTR2ADRD3OPRK1OPRD1

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 6 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-0549796-A1 DIPHENYLPIPERAZINE DERIVATIVE AND DRUG FOR CIRCULATORY ORGAN CONTAINING THE SAME POLA CHEMICAL INDUSTRIES INC (JP) 1993-07-07 EP disclosed