SCHEMBL10067698

SCHEMBL10067698

CC(C)(C)OC(=O)N1CC2C[C@@H](Oc3c(F)cc(-c4ccc(S(C)(=O)=O)cc4)cc3F)C[C@@]2(C)C1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.45
JAK1 P23458 1/20 0.39

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
SCHEMBL903955 0.80 GPR119 (0.56) GPR119
SCHEMBL903887 0.77 GPR119 (0.53) GPR119
SCHEMBL903902 0.75 GPR119 (0.45) GPR119
SCHEMBL16233283 0.73 JAK1 (0.43) GPR119JAK1
SCHEMBL16199575 0.73 JAK1 (0.43) GPR119JAK1
SCHEMBL903936 0.72 GPR119 (0.48) GPR119
SCHEMBL1938312 0.70 GPR119 (0.61) GPR119
SCHEMBL718908 0.69 PTGS2 (0.46) GPR119
SCHEMBL903920 0.67 GPR119 (0.50) GPR119
SCHEMBL904061 0.67 KIF11 (0.42)

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