SCHEMBL8906188

SCHEMBL8906188

CCCc1nc2ccc(C3=NN(C)C(=O)CC3)cc2n1-c1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PPARG P37231 6/20 0.32
HCAR1 Q9BXC0 1/20 0.30

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
SCHEMBL8905737 0.90 PDE4B (0.40) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL8906651 0.88 GPR119 (0.38) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL8905548 0.84 GPR119 (0.37)
SCHEMBL8905804 0.83 KDM4E (0.40) PDE4APDE4DPPARG
SCHEMBL8907335 0.83 PPARG (0.39) PDE4APDE4DPPARG
SCHEMBL8906629 0.82 GPR119 (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL8905647 0.82 CYP1A2 (0.33) PPARGHCAR1
SCHEMBL8907533 0.81 CYP3A4 (0.34) PPARG
SCHEMBL8905214 0.79 PPARG (0.37) PDE4APDE4DPPARG
SCHEMBL8907613 0.79 AGTR1 (0.37) PDE4APDE4DPPARG

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
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed