SCHEMBL2717030

SCHEMBL2717030

Cc1c(Oc2ccc([C@H]3CO[S@@](=O)OC3)cc2Cl)ncnc1OC1CCN(CC(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.40
CYP2C9 P11712 1/20 0.38
TLR9 Q9NR96 6/20 0.36
TLR8 Q9NR97 6/20 0.36
TLR7 Q9NYK1 6/20 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
SCHEMBL3695662 0.87 GPR119 (0.52) GPR119CYP2C9TLR9TLR8TLR7
SCHEMBL2730215 0.87 GPR119 (0.52) GPR119CYP2C9TLR9TLR8TLR7
SCHEMBL2730218 0.87 GPR119 (0.52) GPR119CYP2C9TLR9TLR8TLR7
SCHEMBL2717649 0.85 GPR119 (0.45) GPR119CYP2C9
SCHEMBL2720216 0.79 GPR119 (0.41) GPR119CYP2C9TLR9TLR8TLR7
SCHEMBL3698016 0.76 MAOA (0.46) GPR119
SCHEMBL3698623 0.76 MAOA (0.46) GPR119
SCHEMBL3698015 0.76 MAOA (0.46) GPR119
SCHEMBL2730402 0.76 GPR119 (0.52) GPR119CYP2C9TLR9TLR8TLR7
SCHEMBL2730399 0.76 GPR119 (0.52) GPR119CYP2C9TLR9TLR8TLR7

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-2445904-A1 NOVEL GPR 119 AGONISTS Cadila Healthcare Limited (IN) 2012-05-02 EP disclosed
WO-2010146605-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2010-12-23 WO disclosed