SCHEMBL7148155

SCHEMBL7148155

COC(CN=C(NC#N)NCCc1ccc(OC(F)F)c(OC2CCCC2)c1)OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.45
PDE4B Q07343 10/20 0.45
PDE4A P27815 10/20 0.45
PDE4C Q08493 9/20 0.45
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.36
EPHX1 P07099 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34

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
SCHEMBL7148139 0.84 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CRECQL
SCHEMBL7148144 0.84 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CRECQL
SCHEMBL7144832 0.83 PDE4B (0.42) PDE4DPDE4BPDE4APDE4C
SCHEMBL7146095 0.76 PDE4B (0.49) PDE4DPDE4BPDE4APDE4C
SCHEMBL7415859 0.75 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CRECQL
SCHEMBL9275919 0.74 PDE4D (0.53) PDE4DPDE4BPDE4APDE4CRECQL
SCHEMBL7145904 0.73 PDE4D (0.45) PDE4DPDE4BPDE4APDE4C
SCHEMBL7415851 0.71 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CRECQL
SCHEMBL7415853 0.71 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CRECQL
SCHEMBL7147618 0.71 PDE4B (0.50) PDE4DPDE4BPDE4APDE4C

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-0934280-B1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-09 EP disclosed
US-6051718-A A PHOSPHODIESTERASE ENZYME INHIBITOR AND A CYTOKINE ANTAGONIST FOR TREATING ALLERGIC, ATOPIC AND INFLAMMATORY DISEASES INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, N.V. (BE) 2000-04-18 US disclosed