SCHEMBL8312201

SCHEMBL8312201

CCOc1cc([C@@H](CS(C)(=O)=O)N2Cc3c([SiH3])ccc(NC(=O)C4CC4)c3C2=O)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.52
PDE4C Q08493 16/20 0.52
PDE4A P27815 10/20 0.52
PDE4D Q08499 10/20 0.52
HTR2B P41595 1/20 0.52
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL3393582 0.91 PDE4B (0.52) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL10325822 0.91 PDE4B (0.52) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL5514803 0.91 PDE4B (0.52) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL5509206 0.91 PDE4B (0.52) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL5510495 0.91 PDE4B (0.52) PDE4BPDE4CPDE4APDE4DHTR2B
Dovramilast SCHEMBL15869347 0.87 PDE4B (0.56) PDE4BPDE4CPDE4APDE4DHTR2B
Dovramilast SCHEMBL14983202 0.86 PDE4B (0.59) PDE4BPDE4CPDE4APDE4DHTR2B
Dovramilast SCHEMBL29366888 0.86 PDE4B (0.59) PDE4BPDE4CPDE4APDE4DHTR2B
Dovramilast SCHEMBL673303 0.86 PDE4B (0.59) PDE4BPDE4CPDE4APDE4DHTR2B
Dovramilast SCHEMBL30701938 0.86 PDE4B (0.59) PDE4BPDE4CPDE4APDE4DHTR2B

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-2004080423-A2 7-AMINO- ISOINDOLYL COMPOUNDS AMD THEIR PHARMACEUTICAL USES CELGENE CORPORATION (US) 2004-09-23 WO disclosed