SCHEMBL1114669

SCHEMBL1114669

COc1ccccc1N1CCN(CCCCOc2ccc(CCC3(C)N=NN=N3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
ALDH1A1 P00352 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MAPT P10636 1/20 0.64
NLRP1 Q9C000 1/20 0.64
SLC6A2 P23975 2/20 0.60
SLC6A4 P31645 2/20 0.60
DRD2 P14416 5/20 0.59
DRD3 P35462 5/20 0.59
ADRA1A P35348 1/20 0.59
DRD4 P21917 2/20 0.57
DRD1 P21728 1/20 0.57
HTR2A P28223 1/20 0.57
HTR1A P08908 1/20 0.56

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
SCHEMBL1114668 0.82 LMNA (0.67) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114497 0.81 DRD2 (0.72) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114854 0.81 LMNA (0.69) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114351 0.80 LMNA (0.63) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114265 0.80 DRD2 (0.71) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114928 0.80 LMNA (0.68) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114544 0.79 LMNA (0.64) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL12403673 0.79 LMNA (0.72) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114603 0.79 LMNA (0.63) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL16027109 0.79 LMNA (0.63) LMNAALDH1A1SMN1; SMN2MAPTNLRP1

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-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