SCHEMBL8319261

SCHEMBL8319261

CC(C)(C)OC(=O)N1CCC(N2CCN(CC(=O)c3ccc(OCC(=O)O)c(Cn4ccnc4)c3)C(=O)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.41
GPR119 Q8TDV5 7/20 0.38
NAMPT P43490 2/20 0.36
TP53 P04637 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
BRD4 O60885 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL8318274 0.92 TBXAS1 (0.42) TBXAS1GPR119NAMPTTP53PDE4D
SCHEMBL8316420 0.88 TBXAS1 (0.45) TBXAS1BRD4
SCHEMBL8315355 0.87 PDE4D (0.40) GPR119TP53PDE4DPDE4APDE4B
Trifluoroacetic Acid SCHEMBL8317327 0.85 TBXAS1 (0.42) TBXAS1BRD4
SCHEMBL9030544 0.85 PDE4D (0.44) GPR119TP53PDE4DPDE4APDE4B
SCHEMBL8315697 0.84 PDE4D (0.40) GPR119TP53PDE4DPDE4APDE4B
SCHEMBL8318596 0.84 GPR119 (0.39) GPR119TP53PDE4DPDE4APDE4B
SCHEMBL8319280 0.84 PDE4D (0.36) GPR119TP53PDE4DPDE4APDE4B
SCHEMBL7680850 0.80 TP53 (0.43) GPR119TP53
SCHEMBL8317329 0.79 TBXAS1 (0.34) TBXAS1

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