SCHEMBL4235263

SCHEMBL4235263

Cc1c[c]c(Cc2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.51
HTR1A P08908 6/20 0.51
HTR2A P28223 5/20 0.51
DRD3 P35462 5/20 0.50
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.48
NLRP1 Q9C000 1/20 0.48
DRD4 P21917 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR7 P34969 1/20 0.45

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
SCHEMBL12403727 0.79 HRH3 (0.62) DRD2HTR1AHTR2ADRD3LMNA
SCHEMBL1114667 0.78 HRH3 (0.59) DRD2HTR1AHTR2ADRD3LMNA
SCHEMBL1780938 0.77 DRD2 (0.57) DRD2HTR1AHTR2ADRD3LMNA
SCHEMBL1114455 0.74 DRD2 (0.51) DRD2HTR1AHTR2ADRD3LMNA
SCHEMBL1114606 0.74 DRD2 (0.55) DRD2HTR1AHTR2ADRD3LMNA
SCHEMBL22417421 0.73 HRH3 (0.56) DRD2HTR1AHTR2ADRD3LMNA
SCHEMBL2002856 0.72 DRD2 (0.55) DRD2HTR1AHTR2ALMNAKDM4E
SCHEMBL12403746 0.72 DRD2 (0.66) DRD2HTR1AHTR2ADRD3MAPT
SCHEMBL1114549 0.72 DRD2 (0.52) DRD2HTR1AHTR2ADRD3LMNA
SCHEMBL1114150 0.71 DRD2 (0.64) DRD2HTR1AHTR2ADRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009145590-A2 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2009-12-03 WO claimed