SCHEMBL5693376

SCHEMBL5693376

CSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCC(N)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.54
PDE4A P27815 1/20 0.54
PDE4D Q08499 1/20 0.54
CYP3A4 P08684 1/20 0.45
PTGER4 P35408 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
SCHEMBL8296990 1.00 PDE4B (0.54) PDE4BPDE4APDE4DCYP3A4PTGER4
Hydrochloric Acid SCHEMBL5840423 0.99 PDE4B (0.54) PDE4BPDE4APDE4DCYP3A4PTGER4
Hydrochloric Acid SCHEMBL5780480 0.99 PDE4B (0.54) PDE4BPDE4APDE4DCYP3A4PTGER4
Hydrochloric Acid SCHEMBL5780483 0.99 PDE4B (0.54) PDE4BPDE4APDE4DCYP3A4PTGER4
SCHEMBL5840169 0.92 PDE4B (0.55) PDE4BPDE4APDE4DCYP3A4PTGER4
SCHEMBL8313084 0.92 PDE4B (0.55) PDE4BPDE4APDE4DCYP3A4
SCHEMBL5780660 0.92 PDE4B (0.55) PDE4BPDE4APDE4DCYP3A4PTGER4
SCHEMBL5780663 0.92 PDE4B (0.55) PDE4BPDE4APDE4DCYP3A4PTGER4
SCHEMBL5840683 0.92 PDE4B (0.55) PDE4BPDE4APDE4DCYP3A4
SCHEMBL5840694 0.92 PDE4B (0.55) PDE4BPDE4APDE4DCYP3A4

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-1651647-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDEA4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP claimed
WO-2005010001-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDEA4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO claimed
EP-1651647-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDEA4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
WO-2005010001-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDEA4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed