SCHEMBL5201546

SCHEMBL5201546

CN(C)c1ccc(C(=O)O)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1.[KH]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.48
PDE4B Q07343 3/20 0.48
PDE4D Q08499 3/20 0.48
PDE4A P27815 2/20 0.48
PDE4C Q08493 2/20 0.48
KDM1A O60341 1/20 0.47
MMP13 P45452 1/20 0.45
TOP2A P11388 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TGFBR1 P36897 1/20 0.42
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL3163770 0.99 GPR119 (0.49) GPR119PDE4BPDE4DPDE4APDE4C
Potassium Ion SCHEMBL5201540 0.97 GPR119 (0.48) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL3158355 0.88 PDE4B (0.49) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL3165435 0.85 PDE4B (0.54) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL3164585 0.84 GPR119 (0.51) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL14612780 0.84 GPR119 (0.36) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL3165672 0.84 MEN1 (0.53) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL3160552 0.84 GPR119 (0.54) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL3151575 0.84 PDE4B (0.50) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL4274191 0.82 NPC1 (0.54) GPR119PDE4BPDE4DPDE4APDE4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP disclosed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed