SCHEMBL9687496

SCHEMBL9687496

CC(C)C1CC(=O)NN=C1c1ccc([O])cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.53
PDE3B Q13370 15/20 0.45
PDE3A Q14432 15/20 0.45
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
HRH3 Q9Y5N1 4/20 0.39
TNNC1 P63316 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE2A O00408 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
SCHEMBL9687501 0.87 GPR119 (0.52) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL7298045 0.86 GPR119 (0.63) GPR119PDE3BPDE3APDE4B
SCHEMBL7296347 0.84 GPR119 (0.49) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL7296587 0.83 GPR119 (0.57) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL7335403 0.82 GPR119 (0.56) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL7299065 0.81 PDE3B (0.55) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL9687674 0.80 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9686825 0.79 GPR119 (0.46) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL7304257 0.79 GPR119 (0.51) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL7298414 0.79 GPR119 (0.51) GPR119PDE3BPDE3APDE4APDE4B

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