SCHEMBL4564124

SCHEMBL4564124

COc1ccccc1N1CCN(CCCCOc2ccn3nnnc3c2)CC1.Clc1cccc(N2CCN(CCCCOc3ccn4nnnc4c3)CC2)c1Cl.Clc1ccccc1N1CCN(CCCCOc2ccn3nnnc3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.60
DRD3 P35462 18/20 0.60
DRD4 P21917 17/20 0.60
HTR2A P28223 17/20 0.60
DRD1 P21728 16/20 0.60
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54

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
SCHEMBL3619115 0.92 DRD2 (0.70) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3622470 0.92 DRD2 (0.70) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3616650 0.89 DRD2 (0.60) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4445430 0.80 DRD2 (0.75) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL14494809 0.78 DRD2 (0.66) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL3619811 0.78 DRD2 (0.77) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4445019 0.78 DRD3 (0.60) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4564412 0.78 DRD2 (0.72) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4564398 0.77 DRD2 (0.66) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL14494822 0.76 DRD2 (0.62) DRD2DRD3DRD4HTR2A

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-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