SCHEMBL8315716

SCHEMBL8315716

CSc1cccc(Oc2ncc(F)cc2C(=O)CC2CCC(C(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.37
UGCG Q16739 1/20 0.36
PDE4B Q07343 10/20 0.36
CCR8 P51685 1/20 0.35
CYP3A4 P08684 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL5839602 0.87 PDE4B (0.48) PDE4BCYP3A4PDE4APDE4D
SCHEMBL5839609 0.87 PDE4B (0.48) PDE4BCYP3A4PDE4APDE4D
SCHEMBL8314996 0.84 PTGER4 (0.39) PTGER4PDE4BCYP3A4PDE4APDE4D
SCHEMBL8315913 0.78 PDE4B (0.41) PTGER4PDE4BCYP3A4PDE4APDE4D
SCHEMBL8297693 0.78 PTGER4 (0.45) PTGER4PDE4BPDE4APDE4D
SCHEMBL5693434 0.75 PTGER4 (0.52) PTGER4PDE4BPDE4APDE4D
SCHEMBL5776945 0.74 PDE4B (0.51) PDE4BCYP3A4PDE4APDE4D
SCHEMBL5776940 0.74 PDE4B (0.51) PDE4BCYP3A4PDE4APDE4D
SCHEMBL5842096 0.74 PDE4B (0.51) PDE4BCYP3A4PDE4APDE4D
SCHEMBL5839644 0.73 PDE4B (0.54) PTGER4PDE4BCYP3A4PDE4APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed