SCHEMBL11084137

SCHEMBL11084137

CCC1CC(=O)Nc2ccc(C3=NNC(=O)C4CC34)cc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.43
HRH3 Q9Y5N1 3/20 0.43
PDE3B Q13370 4/20 0.43
PDE3A Q14432 4/20 0.43
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 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 0.91 PDE4A (0.46) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL11090403 0.89 PDE4A (0.50) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL10644858 0.86 PDE3B (0.53) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL11087379 0.84 PGR (0.52) GPR119HRH3PDE4APDE4BPDE4C
SCHEMBL11091774 0.83 GPR119 (0.44) GPR119HRH3PDE4APDE4BPDE4C
SCHEMBL10645987 0.82 PDE3B (0.46) GPR119HRH3PDE3BPDE3APDE4A
SCHEMBL10645983 0.82 PDE3B (0.46) GPR119HRH3PDE3BPDE3APDE4A
SCHEMBL11091702 0.81 GPR119 (0.43) GPR119HRH3PDE4APDE4BPDE4C
SCHEMBL11089539 0.81 GPR119 (0.43) GPR119HRH3PDE4APDE4BPDE4C
SCHEMBL10647307 0.80 PGR (0.49) GPR119HRH3PDE3BPDE3APDE4A

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