SCHEMBL8230948

SCHEMBL8230948

CN(C)[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
GAA P10253 1/20 0.54
OPRM1 P35372 2/20 0.52
OPRD1 P41143 2/20 0.52
OPRK1 P41145 2/20 0.52
GRM2 Q14416 1/20 0.52
TNIK Q9UKE5 1/20 0.52
PARP1 P09874 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
LTA4H P09960 3/20 0.49
CHRM4 P08173 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
JAK2 O60674 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45

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
SCHEMBL4260839 0.92 GAA (0.60) GAAOPRM1OPRD1OPRK1PARP1
SCHEMBL4578108 0.88 HDAC1 (0.58) HDAC1TNIKLTA4HCHRM4JAK2
SCHEMBL4578100 0.88 HDAC1 (0.58) HDAC1TNIKLTA4HCHRM4JAK2
SCHEMBL15860138 0.88 HDAC1 (0.58) HDAC1TNIKLTA4HCHRM4JAK2
SCHEMBL17313634 0.84 KDM4E (0.58) HDAC1LTA4HCHRM4KDM4EALDH1A1
SCHEMBL5179140 0.84 HDAC1 (0.60) HDAC1GRM2LTA4HCHRM4JAK2
SCHEMBL17313633 0.84 KDM4E (0.58) HDAC1LTA4HCHRM4KDM4EALDH1A1
SCHEMBL8223438 0.84 KDM4E (0.58) HDAC1LTA4HCHRM4KDM4EALDH1A1
SCHEMBL4699032 0.82 KDM4E (0.56) HDAC1LTA4HCHRM4KDM4EALDH1A1
SCHEMBL28626109 0.81 LTA4H (0.54) HDAC1GRM2PARP1PARP2LTA4H

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-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO disclosed