SCHEMBL4096313

SCHEMBL4096313

CC(O)(C(F)F)C(F)C(=O)N1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)cc3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.41
GPR119 Q8TDV5 15/20 0.41
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
GPR183 P32249 1/20 0.37

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
SCHEMBL3986348 0.83 LIPE (0.44) LIPEGPR119
SCHEMBL3986213 0.82 PTGS1 (0.43) LIPEGPR119PTGS2PTGS1GPR183
SCHEMBL387584 0.82 GPR119 (0.60) GPR119
SCHEMBL3986009 0.81 LIPE (0.45) LIPEGPR119PTGS2PTGS1
SCHEMBL2883378 0.80 GPR119 (0.56) GPR119
SCHEMBL15539741 0.80 KCNH2 (0.43) GPR119PTGS2PTGS1GPR183
SCHEMBL387864 0.80 GPR119 (0.60) GPR119
SCHEMBL15538841 0.80 GPR119 (0.41) GPR119PTGS2PTGS1GPR183
SCHEMBL3983168 0.79 ALDH1A1 (0.45) LIPEGPR119PTGS2PTGS1
SCHEMBL3988318 0.79 ALDH1A1 (0.45) GPR119PTGS2PTGS1

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-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed