SCHEMBL9987641

SCHEMBL9987641

CC(C)COC(=O)N1CC[C@H](Oc2ccc3n[c]sc3n2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.41
PIK3CD O00329 4/20 0.41
ACACB O00763 4/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3CB P42338 1/20 0.37
BRD4 O60885 1/20 0.36
SCN9A Q15858 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL9987655 1.00 GPR119 (0.41) GPR119PIK3CDACACBJAK2JAK1
SCHEMBL9987440 0.95 GPR119 (0.45) GPR119PIK3CDACACBBRD4SCN9A
SCHEMBL9988118 0.92 ACACB (0.38) GPR119PIK3CDACACBSCN9A
SCHEMBL971612 0.83 GPR119 (0.48) GPR119PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL970394 0.83 GPR119 (0.48) GPR119PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL973169 0.78 GPR119 (0.53) GPR119
SCHEMBL971907 0.75 GPR119 (0.43) GPR119PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL9987340 0.68 LMNA (0.44) ACACBBRD4
SCHEMBL19460883 0.68 GPR119 (0.51) GPR119JAK2JAK1
SCHEMBL4282720 0.67 GPR119 (0.45) GPR119PIK3CD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
WO-2011157682-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed