SCHEMBL4540555

SCHEMBL4540555

CCCNC(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)O)CC3)c(COC)c2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.43
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PPARD Q03181 8/20 0.40
PPARA Q07869 4/20 0.39
RBP4 P02753 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
GPR119 Q8TDV5 3/20 0.37
IKBKB O14920 1/20 0.36
GPR6 P46095 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL4056993 0.86 PARP10 (0.45) RBP4FFAR4GPR119
SCHEMBL4460540 0.83 CHRM4 (0.45) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL3983198 0.79 GPR119 (0.56) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL4050230 0.77 PDE4B (0.45)
SCHEMBL4051411 0.76 RBP4 (0.37) RBP4FFAR4
SCHEMBL13691391 0.76 GPR119 (0.53) GPR119
SCHEMBL4373911 0.75 CLK4 (0.42) RBP4GPR119
SCHEMBL4058702 0.75 SLC6A9 (0.49) GPR119
SCHEMBL4051573 0.74 CCR5 (0.41) RBP4
SCHEMBL4051853 0.73 GPR119 (0.44) 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