SCHEMBL8905737

SCHEMBL8905737

CCCc1nc2ccc(C3=NN(Cc4ccccc4)C(=O)CC3)cc2n1-c1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.40
PDE3A Q14432 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PGR P06401 1/20 0.36
PPARG P37231 6/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL8906188 0.90 PDE4A (0.33) PDE4BPDE4APDE4CPDE4DPPARG
SCHEMBL8906651 0.85 GPR119 (0.38) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL8905626 0.84 PDE4A (0.43) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL8788746 0.82 PPARG (0.48) PPARG
SCHEMBL8905548 0.81 GPR119 (0.37) PDE3APDE3B
SCHEMBL8906629 0.80 GPR119 (0.39) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL8905804 0.80 KDM4E (0.40) PDE3APDE4APDE4DPPARG
SCHEMBL8906566 0.79 TAS2R8 (0.33) PPARG
SCHEMBL8905647 0.79 CYP1A2 (0.33) PPARG
SCHEMBL8907533 0.77 CYP3A4 (0.34) PPARG

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