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SCHEMBL5530772

SCHEMBL5530772

C=CCN1CCN(c2cccc(Cl)c2C)CC1.C=CCN1CCN(c2cccc(OS(=O)(=O)C(F)(F)F)c2C#N)CC1.C=CCN1CCN(c2cccc(OS(=O)(=O)C(F)(F)F)c2Cl)CC1.CCCN1CCN(c2cccc(Cl)c2C)CC1.CCCN1CCN(c2cccc(Cl)c2F)CC1.CCCN1CCN(c2cccc(OS(=O)(=O)C(F)(F)F)c2Cl)CC1.CCN1CCN(c2cccc(Cl)c2C)CC1.CCN1CCN(c2cccc(OS(=O)(=O)C(F)(F)F)c2Cl)CC1.COCCN1CCN(c2cccc(Cl)c2C)CC1.COCCN1CCN(c2cccc(OS(=O)(=O)C(F)(F)F)c2C#N)CC1.COCCN1CCN(c2cccc(OS(=O)(=O)C(F)(F)F)c2Cl)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 14/20 0.35
▸ HTR2A P28223 9/20 0.35
▸ HTR1A P08908 8/20 0.35
▸ DRD3 P35462 8/20 0.34
▸ DRD4 P21917 5/20 0.33
▸ DRD1 P21728 3/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SLC6A4 P31645 3/20 0.32
▸ DRD5 P21918 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ OPRM1 P35372 1/20 0.32

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
SCHEMBL5505305 0.89 DRD2 (0.37) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL5502658 0.84 DRD2 (0.39) DRD2HTR1ADRD3DRD4DRD1
SCHEMBL5525414 0.81 DRD2 (0.39) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL5521761 0.78 DRD2 (0.40) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL5503057 0.78 DRD2 (0.43) DRD2DRD3DRD4DRD1ALDH1A1
SCHEMBL2784966 0.77 DRD2 (0.43) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL2783669 0.77 DRD2 (0.44) DRD2HTR2ADRD3DRD4DRD1
SCHEMBL5504770 0.76 DRD2 (0.43) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL5504389 0.76 DRD2 (0.37) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL2782563 0.76 DRD2 (0.48) DRD2DRD3DRD4DRD1GAA

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