SCHEMBL11089162

SCHEMBL11089162

CC1CC(=O)Nc2ccc(C3=NNC(=O)C4CCCC34)cc21

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.52
PDE4B Q07343 9/20 0.52
PDE4C Q08493 9/20 0.52
PDE4D Q08499 9/20 0.52
PDE3B Q13370 11/20 0.48
PDE3A Q14432 11/20 0.48
GPR119 Q8TDV5 2/20 0.40

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
SCHEMBL11088031 0.95 PDE3B (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11085952 0.90 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11090317 0.89 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10644858 0.88 PDE3B (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11090403 0.87 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11090039 0.86 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11093356 0.85 PDE3B (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11080437 0.85 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11093369 0.84 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11094160 0.83 PDE4A (0.51) 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