SCHEMBL904097

SCHEMBL904097

CCc1cnc(N2CC3CC(Oc4c(F)cc(-c5ccc(S(C)(=O)=O)cc5)cc4F)C[C@H]3C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.47
PTGS2 P35354 1/20 0.41

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
SCHEMBL903870 0.88 GPR119 (0.46) GPR119PTGS2
SCHEMBL903921 0.86 GPR119 (0.45) GPR119PTGS2
SCHEMBL904206 0.86 GPR119 (0.52) GPR119PTGS2
SCHEMBL903889 0.85 GPR119 (0.47) GPR119PTGS2
SCHEMBL903919 0.84 GPR119 (0.42) GPR119
SCHEMBL903951 0.83 GPR119 (0.60) GPR119
SCHEMBL903891 0.82 GPR119 (0.47) GPR119PTGS2
SCHEMBL904082 0.82 GPR119 (0.47) GPR119PTGS2
SCHEMBL720225 0.81 GPR119 (0.44) GPR119PTGS2
SCHEMBL10067573 0.79 KDM4E (0.42) 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-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 WO disclosed