SCHEMBL27675253

SCHEMBL27675253

COc1ccc(N(Cc2cccnc2)c2cccc(C(=O)OOC(C)(C)C)c2)nc1OCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
MAPT P10636 2/20 0.35
GRM2 Q14416 1/20 0.35
SLC2A1 P11166 3/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CXCR3 P49682 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL27655238 0.90 GRM2 (0.39) TP53MAPTGRM2ALDH1A1USP2
SCHEMBL2908377 0.89 LTC4S (0.42) TP53MAPTGRM2SLC2A1FFAR4
SCHEMBL27675159 0.88 PDE4A (0.43) TP53MAPTGRM2ALDH1A1L3MBTL1
SCHEMBL27655289 0.86 GRM2 (0.40) TP53MAPTGRM2ALDH1A1USP2
SCHEMBL27675346 0.84 CNR2 (0.34) GRM2SLC2A1ALDH1A1L3MBTL1CNR2
SCHEMBL2910236 0.79 PDE4D (0.46) GRM2CNR2PDE4APDE4BPDE4C
SCHEMBL8284806 0.79 GRM2 (0.39) GRM2CNR2
SCHEMBL2908741 0.78 GRM2 (0.44) TP53MAPTGRM2ALDH1A1USP2
SCHEMBL2910346 0.78 GRM2 (0.45) TP53MAPTGRM2ALDH1A1USP2
SCHEMBL2907956 0.77 PDE4A (0.45) TP53MAPTGRM2ALDH1A1L3MBTL1

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
CN-1922144-A Phosphodiesterase 4 inhibitors, including n-substituted diarylamine analogs MEMORY PHARM CORP (US) 2007-02-28 CN disclosed