SCHEMBL9686825

SCHEMBL9686825

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.45
PDE3B Q13370 10/20 0.42
PDE3A Q14432 10/20 0.42
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
TNNC1 P63316 1/20 0.36
CA2 P00918 1/20 0.36
PDE2A O00408 1/20 0.35

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
SCHEMBL9686819 0.88 GPR119 (0.46) GPR119MAPTKDM4EALDH1A1CYP2C9
SCHEMBL9686736 0.84 PDE3B (0.60) GPR119MAPTKDM4EALDH1A1CYP2C9
SCHEMBL9687144 0.81 PDE3B (0.54) GPR119MAPTKDM4EALDH1A1CYP2C9
SCHEMBL9687501 0.80 GPR119 (0.52) GPR119KDM4EALDH1A1PDE3BPDE3A
SCHEMBL9687496 0.79 GPR119 (0.53) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL7298045 0.77 GPR119 (0.63) GPR119PDE3BPDE3APDE4BSMN1; SMN2
SCHEMBL7296347 0.75 GPR119 (0.49) GPR119KDM4EALDH1A1PDE3BPDE3A
SCHEMBL9686166 0.72 GPR119 (0.55) GPR119ALDH1A1PDE3BPDE3APDE4A
SCHEMBL9687194 0.72 PDE3B (0.54) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL9687226 0.71 GPR119 (0.49) GPR119MAPTPDE3BPDE3APDE4A

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