SCHEMBL5502367

SCHEMBL5502367

CCN1CCC(c2cccc(OS(C)(=O)=O)c2Cl)CC1.COCCN1CCC(c2cccc(OS(C)(=O)=O)c2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.45
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD3 P35462 3/20 0.41
HTR6 P50406 3/20 0.41
HTR1A P08908 2/20 0.40
HTR7 P34969 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
RBP4 P02753 1/20 0.39
MEN1 O00255 3/20 0.39
CCR5 P51681 1/20 0.38
SLC6A4 P31645 1/20 0.37
HRH2 P25021 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ATM Q13315 1/20 0.37
HRH1 P35367 1/20 0.37
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL2783837 0.96 DRD2 (0.45) DRD2KMT2ADRD3HTR6HTR1A
SCHEMBL2782438 0.91 DRD3 (0.45) DRD2KMT2AALDH1A1GAAL3MBTL1
SCHEMBL2782202 0.87 DRD2 (0.56) DRD2KMT2ADRD3HTR6MEN1
SCHEMBL5502371 0.86 DRD2 (0.37) DRD2KMT2AALDH1A1GAAL3MBTL1
SCHEMBL2782906 0.84 DRD2 (0.46) DRD2KMT2ADRD3HTR6HTR1A
SCHEMBL2783439 0.84 DRD2 (0.46) DRD2KMT2ADRD3HTR6HTR1A
SCHEMBL2784338 0.83 DRD2 (0.50) DRD2KMT2ADRD3RBP4MEN1
Ordopidine SCHEMBL5506147 0.82 HTR6 (0.38) DRD2KMT2ADRD3HTR6HRH3
SCHEMBL28761287 0.81 DRD2 (0.44) DRD2KMT2ADRD3HTR6HTR1A
SCHEMBL2782241 0.80 RBP4 (0.42) DRD2DRD3HTR6HTR1AHTR7

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