SCHEMBL7940955

SCHEMBL7940955

COc1ccc(N(Cc2cccnc2)c2ccc(N(C)CC(=O)C(C)(C)N)nc2)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.48
PDE4D Q08499 5/20 0.48
PDE4B Q07343 4/20 0.48
PDE4C Q08493 4/20 0.48
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
GRM2 Q14416 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL3129592 0.89 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL3122519 0.86 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C
SCHEMBL3121195 0.84 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL3128686 0.81 PDE4A (0.43) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL1157704 0.81 PDE4A (0.61) PDE4APDE4DPDE4BPDE4CGRM2
SCHEMBL4191109 0.80 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL1157553 0.80 PDE4A (0.53) PDE4APDE4DPDE4BPDE4C
SCHEMBL1157333 0.79 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL3122620 0.79 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL4193004 0.79 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CTP53

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed