SCHEMBL5506401

SCHEMBL5506401

C=CCN1CCC(c2cccc(OS(=O)(=O)C(F)(F)F)c2Cl)CC1.CCCN1CCCCC1c1cccc(Cl)c1C(F)(F)F.COCCN1CCC(c2cccc(OS(=O)(=O)C(F)(F)F)c2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.44
DRD3 P35462 12/20 0.44
DRD4 P21917 10/20 0.44
DRD1 P21728 8/20 0.44
DRD5 P21918 8/20 0.44
HTR5A P47898 1/20 0.34
HTR6 P50406 1/20 0.33
HTR1D P28221 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
SCHEMBL5503057 0.80 DRD2 (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL2784338 0.80 DRD2 (0.50) DRD2DRD3DRD4DRD1DRD5
SCHEMBL2783391 0.79 DRD2 (0.54) DRD2DRD3DRD4DRD1DRD5
SCHEMBL5533630 0.78 DRD2 (0.39) DRD2DRD3DRD1DRD5
SCHEMBL2783753 0.76 DRD2 (0.62) DRD2DRD3DRD4DRD1DRD5
SCHEMBL2782002 0.72 RBP4 (0.46) DRD2
SCHEMBL2781883 0.71 DRD3 (0.53) DRD2DRD3DRD4DRD1DRD5
SCHEMBL2782288 0.70 DRD2 (0.51) DRD2DRD3DRD4DRD1DRD5
SCHEMBL2783726 0.70 DRD2 (0.51) DRD2DRD3DRD4DRD1DRD5
SCHEMBL2781896 0.70 DRD2 (0.54) DRD2DRD3DRD4DRD1DRD5

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