SCHEMBL11090586

SCHEMBL11090586

CC1CC(=O)N(C)c2ccc(C3=NNC(=O)C4CCCC34)cc2C1C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.48
PDE4B Q07343 11/20 0.48
PDE4C Q08493 11/20 0.48
PDE4D Q08499 11/20 0.48
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
GPR119 Q8TDV5 2/20 0.37
HRH3 Q9Y5N1 4/20 0.37
ADRA2C P18825 2/20 0.37
SLC6A3 Q01959 2/20 0.37

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
SCHEMBL11087896 0.96 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11080443 0.89 PDE3B (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11087393 0.86 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11091648 0.84 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11084157 0.84 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11084932 0.83 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11086764 0.82 PDE3B (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11084942 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11086853 0.81 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11091358 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B

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