SCHEMBL904178

SCHEMBL904178

CS(=O)(=O)c1ccc(-c2ccc(OC[C@@H]3C4CNC[C@H]43)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
CYP4F2 P78329 7/20 0.44
CYP4A11 Q02928 7/20 0.44
PTGS2 P35354 6/20 0.37
PTGS1 P23219 3/20 0.37
ACVR1 Q04771 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
SCHEMBL10067575 0.81 GPR119 (0.47) GPR183GPR119CYP4F2CYP4A11PTGS2
SCHEMBL385101 0.81 GPR183 (0.58) GPR183GPR119CYP4F2CYP4A11PTGS2
SCHEMBL904051 0.81 GPR119 (0.51) GPR183GPR119CYP4F2CYP4A11PTGS2
Hydrochloric Acid SCHEMBL15540179 0.81 GPR183 (0.57) GPR183GPR119CYP4F2CYP4A11PTGS2
Hydrochloric Acid SCHEMBL387557 0.81 GPR183 (0.57) GPR183GPR119CYP4F2CYP4A11PTGS2
SCHEMBL904120 0.80 GPR119 (0.48) GPR183GPR119CYP4F2CYP4A11PTGS2
SCHEMBL10067596 0.79 GPR119 (0.49) GPR183GPR119CYP4F2CYP4A11PTGS2
SCHEMBL903995 0.79 GPR119 (0.45) GPR183GPR119CYP4F2CYP4A11PTGS2
SCHEMBL904192 0.79 GPR119 (0.49) GPR183GPR119CYP4F2CYP4A11PTGS2
SCHEMBL903874 0.79 GPR119 (0.45) GPR183GPR119CYP4F2CYP4A11PTGS2

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