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SCHEMBL4451211

SCHEMBL4451211

FC(F)(F)c1cccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c1.O=Cc1cnn2ccc(OCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 14/20 0.60
▸ DRD4 P21917 11/20 0.60
▸ DRD3 P35462 11/20 0.60
▸ HTR2A P28223 10/20 0.60
▸ DRD1 P21728 9/20 0.60
▸ DRD5 P21918 3/20 0.51

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
SCHEMBL3606567 0.94 DRD2 (0.66) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3610595 0.89 DRD2 (0.62) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3610425 0.80 DRD2 (0.65) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3606548 0.78 DRD2 (0.68) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3613055 0.78 DRD2 (0.72) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3617535 0.78 DRD2 (0.62) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3613741 0.77 DRD2 (0.73) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3603446 0.76 DRD3 (0.66) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3611189 0.75 DRD2 (0.88) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL4449750 0.75 DRD2 (0.62) DRD2DRD4DRD3HTR2ADRD1

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