SCHEMBL7906014

SCHEMBL7906014

COc1nccc2c1CC([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N2S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.39
SCN9A Q15858 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
APLNR P35414 1/20 0.37
HPGDS O60760 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.36
HTR6 P50406 1/20 0.36
PIK3CA P42336 1/20 0.36
PDE4B Q07343 1/20 0.35
ANO1 Q5XXA6 1/20 0.35

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
SCHEMBL7905938 0.81 ALOX5AP (0.37) GPR119SCN9AHPGDSMEN1ALDH1A1
SCHEMBL7906017 0.76 HPGDS (0.42) GPR119JAK2JAK1HPGDSMEN1
SCHEMBL7898507 0.73 KAT7 (0.39) GPR119SCN9AJAK2JAK1MEN1
SCHEMBL2792044 0.72 JAK2 (0.45) SCN9AMMP1MMP9MMP13JAK2
SCHEMBL2792042 0.72 JAK2 (0.45) SCN9AMMP1MMP9MMP13JAK2
SCHEMBL25345014 0.69 PRMT5 (0.46) GPR119SCN9AJAK2JAK1HPGDS
SCHEMBL27211093 0.69 PRMT5 (0.46) GPR119SCN9AJAK2JAK1HPGDS
SCHEMBL30473704 0.69 PRMT5 (0.46) GPR119SCN9AJAK2JAK1HPGDS
SCHEMBL22441487 0.69 NCF1 (0.49) GPR119PIK3CA
SCHEMBL22445616 0.69 NCF1 (0.49) GPR119PIK3CA

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed