SCHEMBL903897

SCHEMBL903897

CC1(OC(=O)N2CC3C(COc4c(F)cc(-c5ccc(S(C)(=O)=O)cc5)cc4F)[C@H]3C2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.40
PTGS2 P35354 6/20 0.36
PTGS1 P23219 2/20 0.36
KCNH2 Q12809 1/20 0.36
KIF11 P52732 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
SCHEMBL903936 0.85 GPR119 (0.48) GPR119
SCHEMBL1937822 0.82 GPR119 (0.48) GPR119
SCHEMBL903900 0.81 GPR119 (0.39) GPR119PTGS2PTGS1KCNH2KIF11
SCHEMBL10068053 0.76 HRH3 (0.39) PTGS2PTGS1KIF11
SCHEMBL903835 0.74 GPR119 (0.51) GPR119
SCHEMBL903884 0.74 KIF11 (0.41) PTGS2PTGS1KIF11
SCHEMBL10067699 0.72 NR1H2 (0.40) GPR119PTGS2PTGS1KCNH2KIF11
SCHEMBL904082 0.72 GPR119 (0.47) GPR119PTGS2
SCHEMBL903891 0.72 GPR119 (0.47) GPR119PTGS2
SCHEMBL10067776 0.71 GPR119 (0.48) 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