SCHEMBL5503767

SCHEMBL5503767

CCN1CCN(c2cccc(S(C)(=O)=O)c2C#N)CC1.COCCN1CCN(c2cccc(S(C)(=O)=O)c2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.51
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KDM2B Q8NHM5 2/20 0.40
DRD3 P35462 4/20 0.39
HTR6 P50406 3/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CTSS P25774 2/20 0.39
SYK P43405 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
DRD4 P21917 1/20 0.37

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
SCHEMBL2784464 0.96 DRD2 (0.52) DRD2HTR2AHRH1KDM2BDRD3
SCHEMBL2783663 0.90 DRD2 (0.54) DRD2HTR2AHRH1KDM2BDRD3
SCHEMBL2780967 0.85 DRD2 (0.70) DRD2HTR2ADRD3HTR6ADRA1D
SCHEMBL2781597 0.83 DRD2 (0.44) DRD2HTR2AHRH1DRD3HTR6
SCHEMBL2783446 0.81 DRD2 (0.43) DRD2HTR2AHRH1DRD3DRD4
SCHEMBL2783238 0.79 DRD2 (0.56) DRD2HTR2AADRA1DADRA1AADRA1B
SCHEMBL2782910 0.78 DRD2 (0.55) DRD2HTR2ADRD3HTR6ADRA1D
SCHEMBL2782534 0.78 DRD2 (0.55) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL2783216 0.78 DRD2 (0.49) DRD2HTR2AHRH1DRD3ADRA1D
SCHEMBL5505894 0.78 DRD2 (0.43) DRD2HTR2AHRH1KDM2BDRD3

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