SCHEMBL15034727

SCHEMBL15034727

C[S+]([O-])Cc1ccc(-c2cc3c(cn2)OC(C2CCN(C(=O)OC(C)(C)C)CC2)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.47
HDAC1 Q13547 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39

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
SCHEMBL15034941 0.89 GPR119 (0.46) GPR119
SCHEMBL9974192 0.89 GPR119 (0.49) GPR119HDAC1PTPN2PTPN1PTPN6
SCHEMBL14244613 0.86 GPR119 (0.51) GPR119
SCHEMBL9937756 0.86 GPR119 (0.63) GPR119
SCHEMBL9974189 0.86 GPR119 (0.48) GPR119PTPN2PTPN1PTPN6
SCHEMBL14244635 0.85 GPR119 (0.51) GPR119
SCHEMBL9936533 0.85 GPR119 (0.61) GPR119
SCHEMBL14575369 0.85 GPR119 (0.61) GPR119
SCHEMBL14575211 0.85 GPR119 (0.61) GPR119
SCHEMBL9943189 0.85 GPR119 (0.60) GPR119

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-2013083775-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 WO disclosed