SCHEMBL9686819

SCHEMBL9686819

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 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 15/20 0.42
PDE3A Q14432 15/20 0.42
HRH3 Q9Y5N1 2/20 0.36
TNNC1 P63316 1/20 0.36
PDE2A O00408 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL9686825 0.88 GPR119 (0.46) GPR119MAPTKDM4EALDH1A1CYP2C9
SCHEMBL7323542 0.84 PDE3B (0.60) MAPTKDM4EALDH1A1CYP2C9HPGD
SCHEMBL7303555 0.81 PDE3B (0.54) GPR119MAPTKDM4EALDH1A1CYP2C9
SCHEMBL9687501 0.80 GPR119 (0.52) GPR119KDM4EALDH1A1PDE3BPDE3A
SCHEMBL9687496 0.79 GPR119 (0.53) GPR119PDE3BPDE3AHRH3TNNC1
SCHEMBL7298045 0.77 GPR119 (0.63) GPR119PDE3BPDE3APDE4BSMN1; SMN2
SCHEMBL7296347 0.75 GPR119 (0.49) GPR119KDM4EALDH1A1PDE3BPDE3A
SCHEMBL7298414 0.73 GPR119 (0.51) GPR119MAPTPDE3BPDE3AHRH3
SCHEMBL9686166 0.72 GPR119 (0.55) GPR119ALDH1A1PDE3BPDE3APDE4A
SCHEMBL9687194 0.72 PDE3B (0.54) 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