SCHEMBL5501923

SCHEMBL5501923

C=CCN1CCN(c2cccc(OS(=O)(=O)C(OS(C)(=O)=O)c3cccc(N4CCN(CCC)CC4)c3Cl)c2C#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.39
DRD3 P35462 7/20 0.39
DRD4 P21917 4/20 0.35
HTR2A P28223 3/20 0.35
HTR1A P08908 2/20 0.35
HTR2C P28335 1/20 0.35
HTR6 P50406 2/20 0.32
OPRM1 P35372 2/20 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
SCHEMBL5504155 0.86 DRD2 (0.35) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL2784104 0.79 MAPT (0.41) DRD2DRD3DRD4HTR2A
SCHEMBL2783260 0.77 DRD2 (0.52) DRD2DRD3HTR1AHTR6
SCHEMBL5510683 0.73 DRD2 (0.43) DRD2DRD3HTR1AHTR6
SCHEMBL2783023 0.72 DRD2 (0.44) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL5514024 0.71 DRD2 (0.34) DRD2DRD3HTR1AHTR6
SCHEMBL2783669 0.71 DRD2 (0.44) DRD2DRD3DRD4HTR2AHTR6
SCHEMBL5502634 0.71 DRD2 (0.45) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL5525414 0.70 DRD2 (0.39) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL5503076 0.70 DRD2 (0.38) DRD2DRD3DRD4HTR2AHTR1A

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