SCHEMBL27675159

SCHEMBL27675159

COc1ccc(N(Cc2cccnc2)c2cccc(C(=O)OOC(C)(C)C)c2)nc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.43
PDE4D Q08499 4/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.40
GRM2 Q14416 4/20 0.40
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL2905268 0.89 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL27675253 0.88 TP53 (0.35) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL2907956 0.88 PDE4A (0.45) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL27655289 0.86 GRM2 (0.40) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL2910468 0.81 PDE4D (0.44) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL2902489 0.81 PDE4D (0.44) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL4193004 0.81 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL4194617 0.79 PDE4A (0.55) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL2910715 0.79 GRM2 (0.41) PDE4APDE4DPDE4BPDE4CMAPT

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