SCHEMBL7369601

SCHEMBL7369601

COc1ccc(C2CNC(=O)NC2)cc1OC(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.57
PDE4B Q07343 14/20 0.57
PDE4C Q08493 13/20 0.57
PDE4D Q08499 13/20 0.57
CYP3A4 P08684 2/20 0.51
VEGFA P15692 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
CREBBP Q92793 1/20 0.51
KDM4E B2RXH2 1/20 0.51
PDE5A O76074 1/20 0.51
TNF P01375 1/20 0.51
MAPK1 P28482 1/20 0.51
BLM P54132 1/20 0.51
PDE1A P54750 1/20 0.51
PDE1B Q01064 1/20 0.51

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
SCHEMBL4460808 0.82 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL3261886 0.80 PDE4B (0.77) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL14456035 0.79 PDE4B (0.76) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL14193481 0.78 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL14456052 0.78 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7364822 0.77 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7366303 0.77 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL4465388 0.75 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL5327533 0.75 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL14456036 0.74 PDE4B (0.61) PDE4APDE4BPDE4CPDE4DCYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814651-A PHOSPHODIESTERASE TYPE FOUR INHIBITORS PFIZER INC. (US) 1998-09-29 US disclosed
EP-0672031-A1 CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS PFIZER INC. (US) 1995-09-20 EP disclosed
WO-1994012461-A1 CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS PFIZER INC. (US) 1994-06-09 WO disclosed