SCHEMBL5283383

SCHEMBL5283383

NC(=O)N1CC(CCCCNC(=O)COCc2ccc(F)c(CCc3c[nH]c4ccccc34)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.41
BCHE P06276 4/20 0.41
GFER P55789 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
GAA P10253 1/20 0.39
HSD17B2 P37059 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
SCHEMBL5291953 0.95 BCHE (0.44) ACHEBCHEGFERCRHBPCRHR2
SCHEMBL5279974 0.84 ALDH1A1 (0.40) ACHEBCHEMEN1KMT2AMAPT
SCHEMBL5280809 0.83 SIRT1 (0.47) ACHEBCHEGFERMEN1KMT2A
SCHEMBL5278312 0.82 SIRT1 (0.46) ACHEBCHEGFERMEN1KMT2A
SCHEMBL5278902 0.79 BCHE (0.47) ACHEBCHEMEN1KMT2AMAPT
SCHEMBL5278446 0.78 TACR1 (0.45) ACHEBCHEMEN1KMT2AMAPT
SCHEMBL5280164 0.76 BCHE (0.43) ACHEBCHEMEN1KMT2AHTR1A
SCHEMBL5279163 0.75 BCHE (0.50) ACHEBCHEMEN1KMT2A
SCHEMBL5282667 0.73 BCHE (0.55) ACHEBCHEMEN1KMT2A
SCHEMBL5282166 0.71 ACHE (0.53) ACHEBCHEMEN1KMT2AMAPT

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 claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed