SCHEMBL8601928

SCHEMBL8601928

Cc1cn(C2CCOC2)c2cc(C3CCN(C(=O)OC(C)(C)C)C3=O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
HTR3A P46098 6/20 0.34
USP30 Q70CQ3 1/20 0.33
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCD Q05655 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
P2RX7 Q99572 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
ASH1L Q9NR48 1/20 0.31
MAP4K1 Q92918 1/20 0.31
GLP1R P43220 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
SCHEMBL8602129 0.78 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL8572419 0.77 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL8601621 0.77 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL8603217 0.76 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL8603112 0.76 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL8602069 0.75 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL8633013 0.74 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL8649978 0.73 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL8604717 0.73 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL8669588 0.73 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DHTR3A

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