SCHEMBL7940953

SCHEMBL7940953

C=S(C)(=O)CCNc1ccc(N(Cc2cccnc2)c2ccc(OC)c(OC3CCCC3)c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.55
PDE4D Q08499 11/20 0.55
PDE4B Q07343 9/20 0.55
PDE4C Q08493 9/20 0.55
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
GRM2 Q14416 3/20 0.40

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
SCHEMBL3118213 0.94 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CCTSD
SCHEMBL3122409 0.85 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CCTSD
SCHEMBL3126047 0.85 PDE4A (0.48) PDE4APDE4DPDE4BPDE4CCTSD
SCHEMBL3131197 0.83 PDE4A (0.49) PDE4APDE4DPDE4BPDE4CCTSD
SCHEMBL7940974 0.83 PDE4A (0.49) PDE4APDE4DPDE4BPDE4CCTSD
SCHEMBL3123727 0.83 PDE4A (0.46) PDE4APDE4DPDE4BPDE4CCTSD
SCHEMBL3131352 0.82 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL1157704 0.81 PDE4A (0.61) PDE4APDE4DPDE4BPDE4CGRM2
SCHEMBL3128964 0.81 PDE4A (0.50) PDE4APDE4DPDE4BPDE4CCTSD
SCHEMBL1157078 0.80 PDE4A (0.62) PDE4APDE4DPDE4BPDE4CGRM2

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