SCHEMBL9687194

SCHEMBL9687194

CC(C)C1CC(=O)NN=C1c1ccc(O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.54
PDE3A Q14432 14/20 0.54
GPR119 Q8TDV5 5/20 0.52
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41

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
SCHEMBL7299065 0.86 PDE3B (0.55) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL9686166 0.86 GPR119 (0.55) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL9686024 0.83 PDE3B (0.78) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL9687501 0.81 GPR119 (0.52) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL9686622 0.80 GPR119 (0.56) PDE3BPDE3AGPR119
SCHEMBL9687226 0.77 GPR119 (0.49) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL9687496 0.77 GPR119 (0.53) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL7335403 0.77 GPR119 (0.56) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL7298045 0.76 GPR119 (0.63) PDE3BPDE3AGPR119PDE4B
SCHEMBL7296587 0.75 GPR119 (0.57) PDE3BPDE3AGPR119PDE4APDE4B

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-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed