SCHEMBL14340902

SCHEMBL14340902

CC(C)(C)CCC(=O)N1CCN(c2nc3ccccc3o2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
GAA P10253 1/20 0.68
LMNA P02545 7/20 0.61
HTT P42858 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NAAA Q02083 2/20 0.58
TSHR P16473 3/20 0.53
HCAR2 Q8TDS4 1/20 0.52
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
SORD Q00796 2/20 0.48
CNR2 P34972 1/20 0.48
PHGDH O43175 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 3/20 0.46

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
SCHEMBL12162756 0.87 KMT2A (0.72) KMT2AGAALMNAHTTSMN1; SMN2
SCHEMBL14942669 0.82 KMT2A (0.66) KMT2AGAALMNAHTTSMN1; SMN2
SCHEMBL389868 0.81 GAA (0.64) KMT2AGAALMNAHTTSMN1; SMN2
SCHEMBL4058660 0.79 GAA (0.64) KMT2AGAALMNAHTTSMN1; SMN2
SCHEMBL5318590 0.79 GAA (0.67) KMT2AGAALMNAHTTSMN1; SMN2
SCHEMBL880471 0.76 GAA (0.64) KMT2AGAALMNAHTTSMN1; SMN2
SCHEMBL22489503 0.76 KMT2A (0.60) KMT2AGAALMNAHTTSMN1; SMN2
SCHEMBL3264562 0.75 GAA (0.59) KMT2AGAALMNAHTTSMN1; SMN2
SCHEMBL19630535 0.73 NAAA (1.00) KMT2AGAALMNAHTTSMN1; SMN2
SCHEMBL14071936 0.73 GAA (0.63) KMT2AGAALMNAHTTSMN1; SMN2

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-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP disclosed