SCHEMBL11080443

SCHEMBL11080443

CC1CC(=O)N(C)c2ccc(C3=NNC(=O)C4CC34)cc2C1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
GPR119 Q8TDV5 7/20 0.42
HRH3 Q9Y5N1 9/20 0.42
ADRA2C P18825 2/20 0.42
SLC6A3 Q01959 2/20 0.42
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.38

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 0.91 PDE4A (0.45) PDE3BPDE3AGPR119HRH3PDE4A
SCHEMBL11090586 0.89 PDE4A (0.48) PDE3BPDE3AGPR119HRH3ADRA2C
SCHEMBL10647369 0.89 PDE3B (0.48) PDE3BPDE3AGPR119HRH3ADRA2C
SCHEMBL11080791 0.85 GPR119 (0.47) PDE3BPDE3AGPR119HRH3ADRA2C
SCHEMBL11093836 0.83 GPR119 (0.45) PDE3BPDE3AGPR119HRH3ADRA2C
SCHEMBL11089465 0.83 PDE3B (0.49) PDE3BPDE3AGPR119HRH3ADRA2C
SCHEMBL11086367 0.82 GPR119 (0.45) PDE3BPDE3AGPR119HRH3ADRA2C
SCHEMBL11092682 0.81 PDE3B (0.53) PDE3BPDE3AGPR119HRH3ADRA2C
SCHEMBL11083427 0.80 PDE3B (0.47) PDE3BPDE3AGPR119HRH3ADRA2C
SCHEMBL11092771 0.80 GPR119 (0.43) PDE3BPDE3AGPR119HRH3ADRA2C

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