SCHEMBL7375481

SCHEMBL7375481

COc1ccc(C2CC(=O)N(Cc3ccc4cc(F)ccc4n3)C2)cc1OC1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.63
PDE4B Q07343 15/20 0.61
PDE4C Q08493 10/20 0.61
PDE4D Q08499 10/20 0.61
CYP3A4 P08684 2/20 0.45
VEGFA P15692 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
CREBBP Q92793 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PDE5A O76074 1/20 0.45
TNF P01375 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45

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
SCHEMBL7371694 0.86 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL3539500 0.83 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL3548912 0.83 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL3541352 0.83 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL5789908 0.83 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL5791267 0.83 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL3541494 0.83 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL5793861 0.83 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL3552644 0.83 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL3541473 0.83 PDE4A (0.69) 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