SCHEMBL11084303

SCHEMBL11084303

CC1CCC(=O)N(C)c2ccc(C3=NNC(=O)C4CCC34)cc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.50
PDE3A Q14432 5/20 0.50
PDE4A P27815 11/20 0.46
PDE4B Q07343 11/20 0.46
PDE4C Q08493 11/20 0.46
PDE4D Q08499 11/20 0.46
GPR119 Q8TDV5 2/20 0.41
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL11091648 0.96 PDE4A (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11089465 0.92 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11089151 0.84 PDE4A (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11087896 0.83 PDE4A (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11093035 0.83 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11090672 0.83 PDE4A (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11084942 0.82 PDE4A (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10647369 0.81 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11084927 0.81 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11091358 0.81 PDE4A (0.49) PDE3BPDE3APDE4APDE4BPDE4C

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