SCHEMBL3343980

SCHEMBL3343980

CCc1cnc(N2CC(Oc3ccc(-c4ccc(S(C)(=O)=O)cc4F)cc3)C2)nc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.51
PTGS2 P35354 1/20 0.43

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
SCHEMBL3342812 0.93 GPR119 (0.59) GPR119
SCHEMBL3342636 0.91 GPR119 (0.60) GPR119
SCHEMBL904109 0.80 GPR119 (0.45) GPR119
SCHEMBL904206 0.79 GPR119 (0.52) GPR119PTGS2
SCHEMBL3375494 0.76 GPR119 (0.46) GPR119PTGS2
SCHEMBL904015 0.75 GPR119 (0.47) GPR119PTGS2
SCHEMBL13423111 0.75 GPR119 (0.57) GPR119
SCHEMBL904097 0.75 GPR119 (0.47) GPR119PTGS2
SCHEMBL3342654 0.74 GPR119 (0.61) GPR119
SCHEMBL9250106 0.74 GPR119 (0.51) GPR119

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