SCHEMBL5504155

SCHEMBL5504155

C=CCN1CCN(c2cccc(C(OS(C)(=O)=O)S(=O)(=O)Oc3cccc(N4CCN(CCOC)CC4)c3C#N)c2C#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.35
HTR2A P28223 2/20 0.35
HRH1 P35367 1/20 0.35
HTR1A P08908 7/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HTR7 P34969 2/20 0.31
CTSS P25774 1/20 0.31
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30
NPC1 O15118 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
SCHEMBL5501923 0.86 DRD2 (0.39) DRD2HTR2AHTR1ADRD4DRD3
SCHEMBL2784104 0.80 MAPT (0.41) DRD2HTR2AHRH1KDM4EALDH1A1
SCHEMBL2783446 0.80 DRD2 (0.43) DRD2HTR2AHRH1HTR1AHTR7
SCHEMBL5514024 0.77 DRD2 (0.34) DRD2HTR1AHTR7DRD3
SCHEMBL5499969 0.75 HTR1A (0.36) DRD2HTR2AHTR1AHTR7DRD3
SCHEMBL5505305 0.74 DRD2 (0.37) DRD2HTR2AHRH1HTR1AKDM4E
SCHEMBL2784966 0.73 DRD2 (0.43) DRD2HTR2AHRH1HTR1AKDM4E
SCHEMBL2783669 0.72 DRD2 (0.44) DRD2HTR2AHRH1KDM4EALDH1A1
SCHEMBL2783260 0.70 DRD2 (0.52) DRD2HTR1ADRD3
SCHEMBL2784464 0.70 DRD2 (0.52) DRD2HTR2AHRH1HTR1AKDM4E

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 disclosed
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed