SCHEMBL8066564

SCHEMBL8066564

COC(=O)c1cncn1Cc1ccc(OC)c(-c2cccc(NO)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.49
▸ CYP11B2 P19099 3/20 0.49
▸ GRM2 Q14416 1/20 0.45
▸ FNTA P49354 5/20 0.43
▸ FNTB P49356 5/20 0.43
▸ PDE4B Q07343 5/20 0.43
▸ PGGT1B P53609 4/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CNR1 P21554 1/20 0.38
▸ MAPK10 P53779 1/20 0.36
▸ ABL1 P00519 1/20 0.36

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
SCHEMBL8064712 0.85 PDE4B (0.45) CYP11B1CYP11B2FNTAFNTBPDE4B
SCHEMBL3809970 0.84 FNTA (0.50) CYP11B1CYP11B2GRM2FNTAFNTB
SCHEMBL8053627 0.80 PDE4D (0.42) PDE4BPDE4DMAPK10
SCHEMBL8053509 0.79 GRM2 (0.46) GRM2PDE4BPDE4D
SCHEMBL7913026 0.77 PDE4B (0.43) PDE4BPDE4D
SCHEMBL7904659 0.77 CYP19A1 (0.47) PDE4B
SCHEMBL8066491 0.75 PDE4D (0.41) FNTAFNTBPDE4BPGGT1BPDE4D
SCHEMBL8054760 0.75 HDAC7 (0.55) PDE4B
SCHEMBL8067827 0.74 GAA (0.51) PDE4BPDE4D
SCHEMBL8072182 0.74 PDE4D (0.42) PDE4BPDE4D

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-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 — — WO disclosed
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