SCHEMBL4776623

SCHEMBL4776623

CC/C(=C\c1c(CC(C)C)nc2c(cnn2CC)c1-c1cncc(C)c1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
NR3C1 P04150 1/20 0.30
DPP4 P27487 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
SCHEMBL4771963 1.00 PDE4B (0.33) PDE4BSIGMAR1NR3C1DPP4
SCHEMBL4774900 0.86 DPP4 (0.40) PDE4BNR3C1DPP4
SCHEMBL4774893 0.86 DPP4 (0.40) PDE4BNR3C1DPP4
SCHEMBL4769897 0.85 SIGMAR1 (0.32) PDE4BSIGMAR1
SCHEMBL4771961 0.82 PDE4B (0.35) PDE4BDPP4
SCHEMBL4774881 0.79 DPP4 (0.44) DPP4
SCHEMBL4778806 0.79 PDE4B (0.43) PDE4B
SCHEMBL27662807 0.78 DPP4 (0.34) PDE4BSIGMAR1DPP4
SCHEMBL27662806 0.77 PDE10A (0.35) PDE4BSIGMAR1
SCHEMBL4770211 0.76 NR3C1 (0.33) SIGMAR1NR3C1DPP4

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
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP claimed