SCHEMBL8616693

SCHEMBL8616693

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.50
ADRA1A P35348 5/20 0.50
HRH1 P35367 5/20 0.50
DRD3 P35462 5/20 0.50
OPRK1 P41145 5/20 0.50
SLC6A3 Q01959 5/20 0.50
ADORA3 P0DMS8 4/20 0.50
OPRD1 P41143 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
DRD2 P14416 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
KCNH2 Q12809 2/20 0.50
MLNR O43193 1/20 0.50
NR1I2 O75469 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PGR P06401 1/20 0.50

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
SCHEMBL7751327 0.91 SLC6A3 (0.54) HTR2AADRA1AHRH1DRD3OPRK1
SCHEMBL8611835 0.90 DRD3 (0.49) HTR2AADRA1AHRH1DRD3OPRK1
Hydrochloric Acid SCHEMBL7544797 0.90 SLC6A3 (0.53) HTR2AADRA1AHRH1DRD3OPRK1
SCHEMBL8611930 0.89 MAPK1 (0.55) HTR2AADRA1AHRH1DRD3OPRK1
SCHEMBL7754348 0.85 SLC6A3 (0.52) HTR2AADRA1AHRH1DRD3OPRK1
SCHEMBL8614302 0.85 KCNH2 (0.48) HTR2AADRA1AHRH1DRD3OPRK1
SCHEMBL9145616 0.82 DRD3 (0.49) HTR2AADRA1AHRH1DRD3OPRK1
SCHEMBL8611936 0.80 SLC6A3 (0.58) HTR2AADRA1AHRH1DRD3OPRK1
SCHEMBL8612001 0.80 SLC6A3 (0.59) HTR2AADRA1AHRH1DRD3OPRK1
SCHEMBL7754343 0.79 CYP3A4 (0.53) HTR2AADRA1AHRH1DRD3OPRK1

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