SCHEMBL903874

SCHEMBL903874

CC(C)(O)CN1CC2[C@@H](COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)[C@@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.45
GPR183 P32249 1/20 0.45
PTGS2 P35354 3/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 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
SCHEMBL903995 0.90 GPR119 (0.45) GPR119GPR183PTGS2CYP4F2CYP4A11
SCHEMBL15537747 0.84 GPR119 (0.58) GPR119GPR183PTGS2CYP4F2CYP4A11
SCHEMBL904022 0.84 GPR119 (0.41) GPR119GPR183PTGS2
SCHEMBL904051 0.84 GPR119 (0.51) GPR119GPR183PTGS2CYP4F2CYP4A11
SCHEMBL10067575 0.81 GPR119 (0.47) GPR119GPR183PTGS2CYP4F2CYP4A11
SCHEMBL904120 0.79 GPR119 (0.48) GPR119GPR183PTGS2CYP4F2CYP4A11
SCHEMBL904178 0.79 GPR183 (0.48) GPR119GPR183PTGS2CYP4F2CYP4A11
SCHEMBL903980 0.79 GPR119 (0.51) GPR119GPR183
SCHEMBL10067596 0.78 GPR119 (0.49) GPR119GPR183PTGS2CYP4F2CYP4A11
SCHEMBL904192 0.78 GPR119 (0.49) GPR119GPR183PTGS2CYP4F2CYP4A11

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