SCHEMBL904068

SCHEMBL904068

C[C@@]12CN(c3ncc(C4CC4)cn3)CC1[C@H]2COc1ccc(-c2ccc(S(C)(=O)=O)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.46
GPR183 P32249 1/20 0.46
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MMP13 P45452 1/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 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
SCHEMBL10068006 0.91 GPR119 (0.45) GPR119GPR183PTGS2MMP13CYP4F2
SCHEMBL904192 0.82 GPR119 (0.49) GPR119GPR183PTGS1PTGS2CYP4F2
SCHEMBL10067596 0.82 GPR119 (0.49) GPR119GPR183PTGS1PTGS2CYP4F2
SCHEMBL10067768 0.78 GPR119 (0.47) GPR119GPR183
SCHEMBL10067770 0.78 GPR119 (0.45) GPR119GPR183
SCHEMBL904069 0.77 GPR119 (0.33) GPR119
SCHEMBL10068007 0.75 GPR119 (0.52) GPR119
SCHEMBL904109 0.74 GPR119 (0.45) GPR119
SCHEMBL903924 0.73 GPR119 (0.53) GPR119
SCHEMBL903917 0.72 GPR119 (0.60) GPR119GPR183

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