SCHEMBL4445430

SCHEMBL4445430

COc1ccccc1N1CCN(CCCCOc2ccn3ncc(Cl)c3c2)CC1.Clc1ccccc1N1CCN(CCCCOc2ccn3ncc(Cl)c3c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.75
DRD3 P35462 19/20 0.75
DRD4 P21917 18/20 0.75
DRD1 P21728 14/20 0.75
HTR2A P28223 14/20 0.75
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
ADRA1A P35348 1/20 0.59

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
SCHEMBL3619811 0.98 DRD2 (0.77) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL3617165 0.93 DRD3 (0.70) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL4564412 0.92 DRD2 (0.72) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL3616807 0.88 DRD2 (0.79) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL3608123 0.87 DRD2 (0.77) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL3620290 0.87 DRD2 (0.77) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL3613855 0.86 DRD2 (0.81) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL3622814 0.86 DRD3 (0.67) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL3607792 0.86 DRD2 (1.00) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL3607654 0.86 DRD2 (0.75) DRD2DRD3DRD4DRD1HTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137185-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS Gmeiner, Dr. Peter (DE) 2009-12-30 EP claimed
WO-2008113559-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS SCHWARZ PHARMA AG (DE) 2008-09-25 WO claimed
EP-2137185-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS Gmeiner, Dr. Peter (DE) 2009-12-30 EP disclosed
WO-2008113559-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS SCHWARZ PHARMA AG (DE) 2008-09-25 WO disclosed