SCHEMBL903900

SCHEMBL903900

CC1(OC(=O)N2CC3[C@H](COc4c(F)cc(-c5ccc(S(C)(=O)=O)cc5)cc4F)[C@@]3(C)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.39
KIF11 P52732 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTGS2 P35354 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL1937822 0.83 GPR119 (0.48) GPR119CYP2C9CYP2C19
SCHEMBL903897 0.81 GPR119 (0.40) GPR119KIF11KCNH2PTGS2PTGS1
SCHEMBL903936 0.72 GPR119 (0.48) GPR119
SCHEMBL12375468 0.71 GPR119 (0.48) GPR119KCNH2CYP2C9CYP2C19
SCHEMBL1938312 0.70 GPR119 (0.61) GPR119
SCHEMBL10067568 0.70 GPR119 (0.38) GPR119KIF11
SCHEMBL1937388 0.70 SLC6A9 (0.46) GPR119KIF11KCNH2PTGS2PTGS1
SCHEMBL903924 0.68 GPR119 (0.53) GPR119
SCHEMBL10067768 0.68 GPR119 (0.47) GPR119
SCHEMBL903920 0.67 GPR119 (0.50) 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