SCHEMBL8318596

SCHEMBL8318596

CC(C)(C)OC(=O)N1CCC(N2CCN(CC(=O)c3ccc(OCC(=O)O)c(COc4cccnc4)c3)C(=O)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.39
BTK Q06187 1/20 0.36
PDE4D Q08499 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
KDM1A O60341 1/20 0.35
TP53 P04637 1/20 0.34
SLC2A1 P11166 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
PRMT5 O14744 1/20 0.33

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
SCHEMBL8319204 0.88 ITGB3 (0.35)
SCHEMBL8315697 0.86 PDE4D (0.40) GPR119PDE4DPDE4APDE4BPDE4C
Trifluoroacetic Acid SCHEMBL8318415 0.86 ITGB3 (0.34)
SCHEMBL8315355 0.86 PDE4D (0.40) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL9030544 0.84 PDE4D (0.44) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL8319261 0.84 TBXAS1 (0.41) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL8319280 0.82 PDE4D (0.36) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL7680850 0.80 TP53 (0.43) GPR119TP53
SCHEMBL8319314 0.77 PDE4D (0.41) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL8318274 0.75 TBXAS1 (0.42) GPR119PDE4DPDE4APDE4BPDE4C

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-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed