SCHEMBL8669588

SCHEMBL8669588

Cc1cn(C2CCOC2)c2cc(C3CCNC3=O)ccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
ASH1L Q9NR48 1/20 0.34
HTR3A P46098 6/20 0.33
MAP4K1 Q92918 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31

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
SCHEMBL8601928 0.73 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DASH1L
SCHEMBL8600001 0.73 CNR1 (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL1554751 0.73 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DASH1L
SCHEMBL8601171 0.73 NR1D1 (0.40) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL8602159 0.72 BRD4 (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL8605201 0.72 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DASH1L
Hydrochloric Acid SCHEMBL8605205 0.72 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DASH1L
SCHEMBL8603224 0.71 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL1554432 0.70 CNR2 (0.46) PDE4APDE4BPDE4CPDE4DASH1L
SCHEMBL8601087 0.70 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DDDB1

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed