SCHEMBL9030280

SCHEMBL9030280

CCCCOC(=O)COc1ccc(C(=O)CN2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)C(=O)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
GPR119 Q8TDV5 7/20 0.45
HRH2 P25021 4/20 0.41
HRH1 P35367 4/20 0.41
HPGD P15428 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SIRT3 Q9NTG7 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL9030646 0.88 GPR119 (0.44) TP53GPR119HRH2HRH1HPGD
SCHEMBL9030979 0.87 TP53 (0.44) TP53HRH2HRH1HPGDPDE4D
Hydrochloric Acid SCHEMBL9031173 0.86 TP53 (0.44) TP53HRH2HRH1HPGDPDE4D
SCHEMBL9031070 0.83 GPR119 (0.45) GPR119HRH2HRH1HPGDPDE4A
SCHEMBL7680850 0.75 TP53 (0.43) TP53GPR119
SCHEMBL7680139 0.75 HRH2 (0.42) GPR119HRH2HRH1HPGDCYP2D6
SCHEMBL7687431 0.75 GPR119 (0.44) TP53GPR119HPGD
SCHEMBL7684996 0.74 GAA (0.42) GPR119HRH2HRH1SIRT3CYP2D6
SCHEMBL9030418 0.73 HRH2 (0.42) TP53HRH2HRH1HPGDPDE4D
SCHEMBL7837219 0.73 HRH2 (0.40) GPR119HRH2HRH1HPGDCYP2D6

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
EP-0721941-A1 NOVEL COMPOUND HAVING PLATELET AGGREGATION INHIBITOR EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1996-07-17 EP disclosed