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SCHEMBL8600848

SCHEMBL8600848

Cc1cn(CC(C)C)c2cc(C3(Cc4ccncc4)CCN(C(=O)OC(C)(C)C)C3=O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 19/20 0.56
▸ PDE4B Q07343 19/20 0.56
▸ PDE4C Q08493 19/20 0.56
▸ PDE4D Q08499 19/20 0.56
▸ NR1D1 P20393 1/20 0.33

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
SCHEMBL8605556 0.88 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL8570238 0.88 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL8599046 0.87 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL8600858 0.87 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL8598411 0.87 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL8598781 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL8604316 0.86 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL8600523 0.86 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL8602126 0.86 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL8604317 0.85 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D

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