SCHEMBL8601171

SCHEMBL8601171

Cc1cn(CC(C)C)c2cc(C3CCNC3=O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 8/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
BRD9 Q9H8M2 2/20 0.33
BRD7 Q9NPI1 1/20 0.33
ICMT O60725 1/20 0.32
REN P00797 3/20 0.32
XDH P47989 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
PFKFB2 O60825 1/20 0.31
PFKFB1 P16118 1/20 0.31
PFKFB3 Q16875 1/20 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
SCHEMBL8603224 0.82 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL8599642 0.81 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL8601087 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL8601399 0.81 MEN1 (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL8600001 0.80 CNR1 (0.40) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL8601071 0.79 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL8602159 0.79 BRD4 (0.41) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL8601274 0.78 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DICMT
SCHEMBL8600463 0.78 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL8604472 0.78 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DICMT

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