SCHEMBL5504086

SCHEMBL5504086

C=CCN1CCN(c2cccc(C(F)(F)F)c2N)CC1.CCCN1CCN(c2cccc(C(F)(F)F)c2C#N)CC1.CCCN1CCN(c2cccc(C(F)(F)F)c2N)CC1.CCN1CCN(c2cccc(C(F)(F)F)c2N)CC1.COCCN1CCN(c2cccc(C(F)(F)F)c2N)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DRD4 P21917 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CASP1 P29466 1/20 0.31
CYP2C19 P33261 1/20 0.31
CASP7 P55210 1/20 0.31
CTSS P25774 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
HTR1A P08908 1/20 0.30
LMNA P02545 2/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5532866 0.85 DRD4 (0.38) DRD2HTR2AHRH1DRD3DRD4
SCHEMBL5532366 0.83 P2RX7 (0.36) DRD2HTR2ADRD3DRD4HTR1A
SCHEMBL5505574 0.83 P2RX7 (0.36) DRD2HTR2ADRD3DRD4HTR1A
SCHEMBL5522338 0.83 DRD2 (0.37) DRD2HTR2AHRH1DRD3DRD4
SCHEMBL2783451 0.82 DRD2 (0.48) DRD2HTR2AHRH1DRD3KDM4E
SCHEMBL5509702 0.80 DRD2 (0.37) DRD2HTR2AHRH1DRD3KDM4E
SCHEMBL5509209 0.80 DRD4 (0.38) DRD2HTR2ADRD3KDM4EALDH1A1
SCHEMBL5507695 0.80 DRD4 (0.38) DRD2HTR2ADRD3KDM4EALDH1A1
SCHEMBL5525414 0.80 DRD2 (0.39) DRD2HTR2AHRH1DRD3ALDH1A1
SCHEMBL2783750 0.80 CYP1A2 (0.44) DRD2HTR2AHRH1DRD3KDM4E

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