SCHEMBL4451213

SCHEMBL4451213

c1cc2c(c(N3CCN(CCCCOc4ccn5nccc5c4)CC3)c1)OCC2.c1cc2c(c(N3CCN(CCCCOc4ccn5nccc5c4)CC3)c1)OCCC2

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.67
HTR2A P28223 17/20 0.67
DRD4 P21917 15/20 0.67
DRD3 P35462 15/20 0.67
DRD1 P21728 11/20 0.67
DRD5 P21918 4/20 0.67
HTR1A P08908 4/20 0.62

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
SCHEMBL3614573 0.98 DRD2 (0.69) DRD2HTR2ADRD4DRD3DRD1
SCHEMBL3622379 0.97 DRD2 (0.64) DRD2HTR2ADRD4DRD3DRD1
SCHEMBL3618882 0.96 DRD2 (0.71) DRD2HTR2ADRD4DRD3DRD1
SCHEMBL3615796 0.96 DRD2 (0.66) DRD2HTR2ADRD4DRD3DRD1
SCHEMBL3611204 0.95 DRD2 (0.67) DRD2HTR2ADRD4DRD3DRD1
SCHEMBL4449750 0.88 DRD2 (0.62) DRD2HTR2ADRD4DRD3DRD1
SCHEMBL3621854 0.82 DRD2 (0.71) DRD2HTR2ADRD4DRD3DRD1
SCHEMBL3617246 0.80 DRD2 (0.68) DRD2HTR2ADRD4DRD3DRD1
SCHEMBL3611299 0.80 DRD2 (0.73) DRD2HTR2ADRD4DRD3DRD1
SCHEMBL3620522 0.79 DRD2 (0.69) DRD2HTR2ADRD4DRD3DRD1

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 disclosed
WO-2008113559-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS SCHWARZ PHARMA AG (DE) 2008-09-25 WO disclosed