SCHEMBL11090403

SCHEMBL11090403

CCC1CC(=O)Nc2ccc(C3=NNC(=O)C4CCCC34)cc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.50
PDE4B Q07343 10/20 0.50
PDE4C Q08493 10/20 0.50
PDE4D Q08499 10/20 0.50
PDE3B Q13370 4/20 0.39
PDE3A Q14432 4/20 0.39
GPR119 Q8TDV5 6/20 0.39

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
SCHEMBL11087985 0.96 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11084137 0.89 GPR119 (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11089162 0.87 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11090317 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11090395 0.84 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11087431 0.83 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11091973 0.83 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11088031 0.82 PDE3B (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11089594 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11094439 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DGPR119

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
US-4474785-A HYPOTENSIVE AGENTS, ANTICOAGULANTS BASF AKTIENGESELLSCHAFT (DE) 1984-10-02 US disclosed