SCHEMBL7941157

SCHEMBL7941157

Nc1ccc(C(=O)N2CCN(c3ccc(C4CC4)cn3)CC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PANK3 Q9H999 3/20 0.43
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
NPY2R P49146 1/20 0.40
MGLL Q99685 1/20 0.40
CPS1 P31327 1/20 0.40
GLA P06280 1/20 0.40
SLC6A7 Q99884 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
GBA1 P04062 1/20 0.39

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
SCHEMBL2366735 0.88 MEN1 (0.46) KDM4ELMNAHTTSMN1; SMN2PANK3
SCHEMBL2366086 0.83 KDM4E (0.39) KDM4ELMNAHTTSMN1; SMN2PANK3
SCHEMBL2365868 0.80 GRM5 (0.41) KDM4ELMNAHTTSMN1; SMN2PANK3
SCHEMBL2367055 0.79 KDM4E (0.39) KDM4ELMNAHTTSMN1; SMN2PANK3
SCHEMBL2367049 0.79 KDM4E (0.39) KDM4ELMNAHTTSMN1; SMN2PANK3
SCHEMBL2366635 0.79 PANK3 (0.44) KDM4ELMNAHTTSMN1; SMN2PANK3
SCHEMBL27848379 0.77 PANK3 (0.54) KDM4ELMNAHTTSMN1; SMN2PANK3
SCHEMBL2365852 0.74 PANK3 (0.38) KDM4ELMNASMN1; SMN2PANK3ALDH1A1
SCHEMBL22172321 0.74 MEN1 (0.55) KDM4ELMNAALDH1A1L3MBTL1KMT2A
SCHEMBL21245854 0.73 CPS1 (0.49) KDM4ESMN1; SMN2KMT2AMEN1CPS1

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-2010050461-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE 田辺三菱製薬株式会社 (JP) 2010-05-06 WO disclosed