SCHEMBL3344875

SCHEMBL3344875

Cc1cc(CNc2ccc(S(C)(=O)=O)nc2C)ccc1OC1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.43
CYP2C9 P11712 3/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 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
SCHEMBL3340931 0.87 GPR119 (0.56) GPR119CYP2C9
SCHEMBL3343172 0.77 GPR119 (0.55) GPR119CYP2C9
SCHEMBL3343583 0.74 GPR119 (0.56) GPR119CYP2C9KCNH2
SCHEMBL3342675 0.72 GPR119 (0.52) GPR119CYP2C9KCNH2
SCHEMBL3344970 0.71 GPR119 (0.45) GPR119
SCHEMBL3344227 0.70 GPR119 (0.53) GPR119CYP2C9KCNH2
SCHEMBL3342560 0.70 GPR119 (0.55) GPR119CYP2C9KCNH2
SCHEMBL31145296 0.68 KDM4E (0.39) GPR119CYP2C9LMNANPSR1
SCHEMBL3343199 0.64 GPR119 (0.55) GPR119CYP2C9KCNH2
SCHEMBL3343133 0.64 GPR119 (0.64) GPR119CYP2C9KCNH2

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-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed