SCHEMBL13769245

SCHEMBL13769245

CCOC(=O)C1CCN(c2ccc(-c3nc(N)c(C)nc3C)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.56
MAPT P10636 5/20 0.55
PTPN11 Q06124 1/20 0.46
SHMT2 P34897 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ITGB3 P05106 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
ITGA2B P08514 2/20 0.44
PRSS3 P35030 2/20 0.44
PDK2 Q15119 1/20 0.43
LMNA P02545 1/20 0.43
DPP4 P27487 1/20 0.43
F10 P00742 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL13769799 0.88 SHMT2 (0.49) MAPTSHMT2ALDH1A1KDM4ETP53
SCHEMBL13769798 0.88 SHMT2 (0.49) MAPTSHMT2ALDH1A1KDM4ETP53
SCHEMBL5538227 0.84 MAPT (0.52) LGMNMAPTSHMT2ALDH1A1KDM4E
SCHEMBL27543 0.80 LGMN (0.70) LGMNMAPTSHMT2ALDH1A1KDM4E
SCHEMBL15850037 0.77 MAPT (0.71) LGMNMAPTALDH1A1KDM4EMEN1
SCHEMBL3142718 0.76 MAPT (0.70) LGMNMAPTALDH1A1KDM4EMEN1
SCHEMBL17876417 0.75 MAPT (0.65) LGMNMAPTALDH1A1KDM4EMEN1
SCHEMBL13769801 0.75 S1PR1 (0.46) MAPTALDH1A1MEN1KMT2AITGB3
SCHEMBL14167547 0.75 MAPT (0.68) LGMNMAPTALDH1A1KDM4ETP53
SCHEMBL1749330 0.75 MAPT (0.68) LGMNMAPTALDH1A1KDM4EMEN1

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-2009081195-A1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed