SCHEMBL5282924

SCHEMBL5282924

COc1ccc(N2CCN(C(=O)CCCCCNC(=O)O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.59
ALDH1A1 P00352 3/20 0.58
MAPT P10636 9/20 0.57
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
DRD4 P21917 1/20 0.54
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL6037916 0.88 GFER (0.55) GFERALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL6038084 0.86 GFER (0.58) GFERALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL1378043 0.83 HDAC1 (0.72) GFERALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL5281130 0.83 MAPT (0.61) GFERALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL1374155 0.82 ALDH1A1 (0.59) GFERALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL6038021 0.80 MAPT (0.57) GFERALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL6037984 0.80 MAPT (0.57) GFERALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL6038357 0.80 L3MBTL1 (0.58) GFERALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL8325536 0.79 MAPT (0.68) GFERALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL9987782 0.77 MAPT (0.67) GFERALDH1A1MAPTMAPK1L3MBTL1

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-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed