SCHEMBL5502371

SCHEMBL5502371

CCN1CCC(c2cccc(OS(=O)(=O)C(OS(C)(=O)=O)c3cccc(C4CCN(CCOC)CC4)c3Cl)c2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.37
CCR5 P51681 1/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR6 P50406 5/20 0.35
DRD3 P35462 3/20 0.35
HTR1A P08908 5/20 0.34
HTR7 P34969 5/20 0.34
RBP4 P02753 1/20 0.34
MAPT P10636 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
INSR P06213 1/20 0.33
ALK Q9UM73 1/20 0.33
MEN1 O00255 2/20 0.33
HRH2 P25021 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 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
SCHEMBL5502367 0.86 DRD2 (0.45) DRD2CCR5KMT2AALDH1A1GAA
SCHEMBL2783837 0.82 DRD2 (0.45) DRD2CCR5KMT2AHTR6DRD3
SCHEMBL2782438 0.78 DRD3 (0.45) DRD2KMT2AALDH1A1GAAL3MBTL1
SCHEMBL5514024 0.76 DRD2 (0.34) DRD2HTR6DRD3HTR1AHTR7
SCHEMBL2784338 0.75 DRD2 (0.50) DRD2KMT2ADRD3RBP4MEN1
SCHEMBL5499969 0.75 HTR1A (0.36) DRD2HTR6DRD3HTR1AHTR7
SCHEMBL2782202 0.74 DRD2 (0.56) DRD2KMT2AHTR6DRD3MEN1
SCHEMBL2782241 0.72 RBP4 (0.42) DRD2HTR6DRD3HTR1AHTR7
SCHEMBL27684027 0.72 RBP4 (0.41) DRD2KMT2AHTR6DRD3HTR1A
SCHEMBL27684024 0.72 RBP4 (0.45) DRD2DRD3HTR1AHTR7RBP4

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