SCHEMBL5522908

SCHEMBL5522908

C=CCN1CCN(c2cccc(C#N)c2F)CC1.CCCN1CCN(c2cccc(C#N)c2O)CC1.CCN1CCN(c2cccc(C#N)c2F)CC1.CCN1CCN(c2cccc(C#N)c2O)CC1.COCCN1CCN(c2cccc(C#N)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.38
DRD2 P14416 9/20 0.36
HTR7 P34969 4/20 0.35
HTR2A P28223 4/20 0.35
HTR1A P08908 3/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
DRD3 P35462 4/20 0.35
HTR2B P41595 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HRH1 P35367 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
THPO P40225 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL5504389 0.91 DRD2 (0.37) DRD4DRD2HTR7HTR2AHTR1A
SCHEMBL5509209 0.90 DRD4 (0.38) DRD4DRD2HTR7HTR2AHTR1A
SCHEMBL5507695 0.90 DRD4 (0.38) DRD4DRD2HTR7HTR2AHTR1A
SCHEMBL5509702 0.82 DRD2 (0.37) DRD4DRD2HTR2AHTR1ADRD3
SCHEMBL5509253 0.81 DRD2 (0.44) DRD4DRD2HTR7HTR2AHTR1A
SCHEMBL5532866 0.81 DRD4 (0.38) DRD4DRD2HTR7HTR2AHTR1A
SCHEMBL2783359 0.81 DRD2 (0.50) DRD4DRD2HTR7HTR2AHTR1A
SCHEMBL2782893 0.81 DRD2 (0.47) DRD4DRD2HTR7HTR2AHTR1A
SCHEMBL5502304 0.80 DRD2 (0.38) DRD4DRD2HTR1ALMNAGAA
SCHEMBL3105655 0.80 DRD4 (0.41) DRD4DRD2HTR7HTR2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773772-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-18 EP claimed
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO claimed