SCHEMBL4052952

SCHEMBL4052952

COCc1cc(-c2ccc(C(=O)N(C)CCN(C)C)nc2)ccc1OCC1CCN(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
IKBKE Q14164 2/20 0.36
TBK1 Q9UHD2 2/20 0.36
TRPC6 Q9Y210 4/20 0.36
RBP4 P02753 1/20 0.35
GPR119 Q8TDV5 5/20 0.34
MCHR1 Q99705 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MTOR P42345 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL4052686 0.83 TRPC6 (0.42) PDE4APDE4BPDE4CPDE4DIKBKE
SCHEMBL4373911 0.81 CLK4 (0.42) PDE4BPDE4DIKBKETBK1RBP4
SCHEMBL4051853 0.80 GPR119 (0.44) IKBKETBK1TRPC6RBP4GPR119
SCHEMBL4368793 0.78 GPR119 (0.54) GPR119
SCHEMBL4050230 0.77 PDE4B (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL4380027 0.76 PPARD (0.42) GPR119
SCHEMBL4051411 0.76 RBP4 (0.37) PDE4BIKBKETBK1TRPC6RBP4
SCHEMBL4052205 0.74 RAB9A (0.44) TRPC6
SCHEMBL4051573 0.74 CCR5 (0.41) RBP4TDP1
SCHEMBL4056993 0.74 PARP10 (0.45) RBP4GPR119

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
WO-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed