SCHEMBL2158175

SCHEMBL2158175

O=CCCC(C1=COC=C(C2=CC=CCC2)O1)N1CCN(CCOc2ccc(F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC2A1 P11166 1/20 0.33
KCNA5 P22460 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ALOX5 P09917 2/20 0.32
HRH1 P35367 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3373664 0.73 LMNA (0.40) LTA4HUSP2ALDH1A1HPGDHTR1A
SCHEMBL2398241 0.64 SCN4A (0.39)
SCHEMBL1730306 0.63 LTA4H (0.77) LTA4HUSP2ALDH1A1HPGDSIGMAR1
SCHEMBL3559024 0.60
SCHEMBL13698800 0.59 USP2 (0.73) LTA4HUSP2ALDH1A1HPGDSIGMAR1
SCHEMBL2397103 0.59 SCN4A (0.43) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL7400087 0.59 LTA4H (0.65) LTA4HUSP2ALDH1A1HPGDSIGMAR1
SCHEMBL15679705 0.58 USP2 (0.82) LTA4HUSP2ALDH1A1HPGDSIGMAR1
Hydrochloric Acid SCHEMBL1730768 0.58 USP2 (0.71) LTA4HUSP2ALDH1A1HPGDSIGMAR1
SCHEMBL3729102 0.58

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
EP-2340835-A1 Piperidine and piperazine derivatives M's Science Corporation (JP) 2011-07-06 EP disclosed