SCHEMBL3133772

SCHEMBL3133772

CCOc1cc(N(Cc2cncnc2)c2cccc(C(=O)O)c2)ccc1OC.CCOc1cc(N(Cc2cncnc2)c2cccc(C(=O)O)c2)ccc1OC(F)F.COc1ccc(N(Cc2cncnc2)c2cccc(C(=O)O)c2)cc1OCC1CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.46
PDE4B Q07343 12/20 0.45
PDE4A P27815 8/20 0.45
PDE4C Q08493 8/20 0.45
RXRA P19793 1/20 0.43
ABCB11 O95342 1/20 0.41
LTC4S Q16873 1/20 0.41

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
SCHEMBL3122570 0.96 PDE4B (0.44) PDE4DPDE4BPDE4APDE4CRXRA
SCHEMBL3130890 0.93 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CRXRA
SCHEMBL3120806 0.91 LTC4S (0.47) PDE4DPDE4BPDE4APDE4CRXRA
SCHEMBL3129575 0.90 MRGPRX4 (0.40) PDE4DPDE4BPDE4APDE4CRXRA
SCHEMBL3122581 0.89 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL3131075 0.86 TSHR (0.46) PDE4DPDE4BPDE4APDE4CRXRA
SCHEMBL3121025 0.86 PDE4B (0.50) PDE4DPDE4BPDE4APDE4CRXRA
SCHEMBL1157297 0.85 PDE4D (0.54) PDE4DPDE4BPDE4APDE4CRXRA
SCHEMBL3132719 0.84 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL3131505 0.83 PDE4D (0.40) PDE4DPDE4B

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