SCHEMBL5501370

SCHEMBL5501370

C=CCN1CCC(c2cccc(C#N)c2O)CC1.COCCN1CCC(c2cccc(C#N)c2O)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.43
DRD4 P21917 1/20 0.39
DRD3 P35462 4/20 0.37
HTR2A P28223 3/20 0.37
HTR1A P08908 10/20 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
SCHEMBL2781868 0.92 DRD4 (0.43) DRD2DRD4DRD3HTR2A
SCHEMBL2785586 0.89 DRD2 (0.48) DRD2DRD4DRD3HTR1A
SCHEMBL5502725 0.80 DRD2 (0.40) DRD2DRD4DRD3HTR2AHTR1A
SCHEMBL2784121 0.79 DRD2 (0.54) DRD2DRD4DRD3
SCHEMBL2785322 0.78 DRD2 (0.42) DRD2DRD4DRD3HTR2A
SCHEMBL2781897 0.78 DRD2 (0.48) DRD2DRD4DRD3HTR1A
SCHEMBL2781919 0.78 DRD2 (0.48) DRD2DRD4DRD3HTR1A
SCHEMBL2785380 0.77 DRD2 (0.49) DRD2DRD4DRD3HTR1A
SCHEMBL2781201 0.76 DRD4 (0.47) DRD2DRD4DRD3
SCHEMBL5502922 0.76 DRD2 (0.39) DRD2DRD3HTR2AHTR1A

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