SCHEMBL9687501

SCHEMBL9687501

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.52
PDE3B Q13370 12/20 0.45
PDE3A Q14432 12/20 0.45
TNNC1 P63316 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
HRH3 Q9Y5N1 4/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNH2 Q12809 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
SCHEMBL9687496 0.87 GPR119 (0.53) GPR119PDE3BPDE3ATNNC1PDE4A
SCHEMBL7298045 0.85 GPR119 (0.63) GPR119PDE3BPDE3APDE4B
SCHEMBL9686166 0.82 GPR119 (0.55) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL7296347 0.82 GPR119 (0.49) GPR119PDE3BPDE3ATNNC1PDE4A
SCHEMBL9687194 0.81 PDE3B (0.54) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL9687226 0.81 GPR119 (0.49) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL9686825 0.80 GPR119 (0.46) GPR119PDE3BPDE3ATNNC1PDE4A
SCHEMBL9686819 0.80 GPR119 (0.46) GPR119PDE3BPDE3ATNNC1PDE4A
SCHEMBL7338020 0.80 PDE3B (0.66) PDE3BPDE3ATNNC1PDE4APDE4B
SCHEMBL7327355 0.80 PDE3B (0.66) PDE3BPDE3ATNNC1PDE4APDE4B

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