SCHEMBL904192

SCHEMBL904192

CS(=O)(=O)c1ccc(-c2ccc(OCC3C4CN(c5ncc(C6CC6)cn5)C[C@@H]34)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.49
GPR183 P32249 1/20 0.49
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ACACB O00763 3/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
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
SCHEMBL10067596 1.00 GPR119 (0.49) GPR119GPR183NR1H2NR1H3ACACB
SCHEMBL904120 0.89 GPR119 (0.48) GPR119GPR183NR1H2NR1H3PTGS1
SCHEMBL10067420 0.83 GPR119 (0.47) GPR119GPR183
SCHEMBL904179 0.83 GPR119 (0.59) GPR119GPR183
SCHEMBL904068 0.82 GPR119 (0.46) GPR119GPR183NR1H2NR1H3PTGS1
SCHEMBL10067575 0.81 GPR119 (0.47) GPR119GPR183PTGS1PTGS2CYP4F2
SCHEMBL904051 0.80 GPR119 (0.51) GPR119GPR183PTGS1PTGS2CYP4F2
SCHEMBL904178 0.79 GPR183 (0.48) GPR119GPR183PTGS1PTGS2CYP4F2
SCHEMBL903995 0.78 GPR119 (0.45) GPR119GPR183PTGS1PTGS2CYP4F2
SCHEMBL903874 0.78 GPR119 (0.45) 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