SCHEMBL8716619

SCHEMBL8716619

CN1CCN(c2ccc(F)cc2NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 10/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.48
SRPK1 Q96SB4 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 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
SCHEMBL8716846 0.87 WDR5 (0.48) WDR5SMN1; SMN2ALDH1A1GAASRPK1
SCHEMBL8711040 0.84 WDR5 (0.54) WDR5ALDH1A1GAAMEN1TSHR
SCHEMBL8908801 0.82 MAPK1 (0.57) SMN1; SMN2ALDH1A1L3MBTL1GAAMEN1
SCHEMBL8716632 0.80 KMT2A (0.46) WDR5SMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL23606384 0.78 HDAC3 (0.45) WDR5ALDH1A1L3MBTL1GAAHTT
SCHEMBL30044576 0.78 HDAC3 (0.45) WDR5ALDH1A1L3MBTL1GAAHTT
SCHEMBL15614546 0.77 MAPT (0.51) SMN1; SMN2ALDH1A1MEN1MAPTTSHR
SCHEMBL857284 0.77 HTT (0.55) SMN1; SMN2ALDH1A1GAAMAPTHTT
SCHEMBL13864827 0.76 DRD2 (0.40) HDAC3HDAC8
SCHEMBL994653 0.76 NPC1 (0.58) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A

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-1998031669-A1 NOVEL ARYLPIPERAZINE DERIVED FROM PIPERIDINE AS ANTIDEPRESSANT MEDICINES PIERRE FABRE MEDICAMENT (FR) 1998-07-23 WO disclosed