SCHEMBL6948587

SCHEMBL6948587

CCCCS(=O)(=O)Nc1cccc(N(Cc2cccnc2)c2ccc(OC)c(OC3CCCC3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.53
PDE4D Q08499 5/20 0.53
PDE4B Q07343 4/20 0.53
PDE4C Q08493 4/20 0.53
GRM2 Q14416 3/20 0.42

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
SCHEMBL6954189 0.95 PDE4A (0.55) PDE4APDE4DPDE4BPDE4CGRM2
SCHEMBL1157651 0.93 PDE4A (0.57) PDE4APDE4DPDE4BPDE4CGRM2
SCHEMBL1157554 0.89 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CGRM2
SCHEMBL6952831 0.89 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CGRM2
SCHEMBL1157950 0.86 PDE4A (0.59) PDE4APDE4DPDE4BPDE4CGRM2
SCHEMBL7132493 0.84 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CGRM2
SCHEMBL1157594 0.83 PDE4A (0.53) PDE4APDE4DPDE4BPDE4C
SCHEMBL1157078 0.82 PDE4A (0.62) PDE4APDE4DPDE4BPDE4CGRM2
SCHEMBL1157704 0.82 PDE4A (0.61) PDE4APDE4DPDE4BPDE4CGRM2
SCHEMBL1157687 0.81 PDE4A (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353907-A2 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2003-10-22 EP claimed
WO-2002074726-A2 ANILINE DERIVATIVES USEFUL AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2002-09-26 WO claimed