SCHEMBL7754348

SCHEMBL7754348

Cc1ccc(NCC(O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.52
DRD3 P35462 6/20 0.52
HTR2A P28223 5/20 0.52
ADRA1A P35348 5/20 0.52
HRH1 P35367 5/20 0.52
OPRK1 P41145 5/20 0.52
ADORA3 P0DMS8 4/20 0.52
OPRD1 P41143 4/20 0.52
DRD2 P14416 4/20 0.52
KCNH2 Q12809 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SLC6A4 P31645 2/20 0.52
MLNR O43193 1/20 0.52
NR1I2 O75469 1/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52

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 0.94 CYP3A4 (0.53) SLC6A3DRD3HTR2AADRA1AHRH1
Hydrochloric Acid SCHEMBL7542285 0.93 MEN1 (0.54) SLC6A3DRD3HTR2AADRA1AHRH1
SCHEMBL7751395 0.90 CYP3A4 (0.49) SLC6A3DRD3HTR2AADRA1AHRH1
SCHEMBL8615736 0.90 CYP3A4 (0.51) SLC6A3DRD3HTR2AADRA1AHRH1
SCHEMBL4760958 0.90 CYP3A4 (0.51) SLC6A3DRD3HTR2AADRA1AHRH1
SCHEMBL8616378 0.90 CYP3A4 (0.51) SLC6A3DRD3HTR2AADRA1AHRH1
SCHEMBL7754359 0.89 CYP3A4 (0.48) SLC6A3DRD3HTR2AADRA1AHRH1
SCHEMBL7754861 0.89 DRD3 (0.48) SLC6A3DRD3HTR2AADRA1AHRH1
Hydrochloric Acid SCHEMBL8867248 0.89 MEN1 (0.52) SLC6A3DRD3HTR2AADRA1AHRH1
Hydrochloric Acid SCHEMBL7543578 0.89 MEN1 (0.52) SLC6A3DRD3HTR2AADRA1AHRH1

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 8 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
US-5391552-A Has strong antagonism against calcium with less side effects POLA CHEMICAL INDUSTRIES, INC. (JP) 1995-02-21 US 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