SCHEMBL1114573

SCHEMBL1114573

Clc1ccccc1N1CCN(CCCCOc2ccccc2Cn2ccnn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.52
DRD3 P35462 5/20 0.52
DRD4 P21917 4/20 0.52
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PLA2G1B P04054 1/20 0.44
RAB9A P51151 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44

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
SCHEMBL1114454 0.89 ALDH1A1 (0.58) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL1114549 0.85 DRD2 (0.52) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL1114430 0.78 DRD2 (0.60) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL1114544 0.78 LMNA (0.64) DRD2DRD3DRD4HTR2AKDM4E
SCHEMBL3611072 0.75 DRD2 (0.58) DRD2DRD3DRD4CYP1A2CYP2D6
SCHEMBL3618095 0.75 DRD2 (0.86) DRD2DRD3DRD4CYP1A2CYP2D6
SCHEMBL1114958 0.74 DRD2 (0.51) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL1114814 0.74 HTR1A (0.66) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL1780938 0.72 DRD2 (0.57) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL1114351 0.71 LMNA (0.63) DRD2DRD3DRD4HTR1AHTR2A

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-2279179-A2 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK Holdings Co., Ltd. (KR) 2011-02-02 EP claimed
WO-2009145591-A2 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2009-12-03 WO claimed
EP-2279179-A2 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK Holdings Co., Ltd. (KR) 2011-02-02 EP disclosed
WO-2009145591-A2 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2009-12-03 WO disclosed