SCHEMBL7260627

SCHEMBL7260627

COc1ccc([C@H](Cc2ccncc2)c2ccc(NC(=O)NS(=O)(=O)c3ccccc3C)cc2)cc1OC1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.75
PDE4D Q08499 2/20 0.64
PDE4B Q07343 1/20 0.64
PDE4C Q08493 1/20 0.64

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
SCHEMBL7260629 1.00 PDE4A (0.75) PDE4APDE4DPDE4BPDE4C
SCHEMBL8659267 0.92 PDE4A (0.74) PDE4APDE4DPDE4BPDE4C
SCHEMBL7260669 0.91 PDE4A (0.79) PDE4APDE4DPDE4BPDE4C
SCHEMBL7260664 0.91 PDE4A (0.79) PDE4APDE4DPDE4BPDE4C
SCHEMBL7396439 0.90 PDE4A (0.66) PDE4APDE4DPDE4BPDE4C
SCHEMBL7396442 0.90 PDE4A (0.66) PDE4APDE4DPDE4BPDE4C
SCHEMBL7264868 0.86 PDE4A (0.76) PDE4APDE4DPDE4BPDE4C
SCHEMBL7264867 0.86 PDE4A (0.76) PDE4APDE4DPDE4BPDE4C
SCHEMBL7907449 0.85 PDE4A (0.85) PDE4APDE4DPDE4BPDE4C
SCHEMBL3759110 0.83 PDE4A (0.86) PDE4APDE4DPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874824-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH R&D LTD (GB) 2003-06-25 EP claimed
US-5849770-A Tri-substituted phenyl derivatives useful as PDE IV inhibitors CELLTECH THERAPEUTICS LTD. (GB) 1998-12-15 US claimed
EP-0874824-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH R&D LTD (GB) 2003-06-25 EP disclosed
US-5849770-A Tri-substituted phenyl derivatives useful as PDE IV inhibitors CELLTECH THERAPEUTICS LTD. (GB) 1998-12-15 US disclosed