SCHEMBL883191

SCHEMBL883191

C[C@@H]1CCN(C(=O)CC(C)(C)C)[C@@H]1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.38
PIK3CB P42338 9/20 0.38
PIK3CD O00329 8/20 0.37
PIK3CG P48736 8/20 0.37
PI4KB Q9UBF8 3/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
DPP4 P27487 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL883189 1.00 PIK3CA (0.38) PIK3CAPIK3CBPIK3CDPIK3CGPI4KB
SCHEMBL18675245 0.78 FAP (0.51) PIK3CAPIK3CBPIK3CDPIK3CGPI4KB
SCHEMBL12943482 0.77 PIK3CA (0.39) PIK3CAPIK3CBPIK3CDPIK3CGPI4KB
SCHEMBL883054 0.76 MEN1 (0.48) PIK3CAPIK3CBPIK3CDPIK3CGPI4KB
SCHEMBL22802727 0.75 DPP4 (0.37) DPP4SMN1; SMN2
SCHEMBL18771284 0.75 PIK3CA (0.36) PIK3CAPIK3CBPIK3CDPIK3CGPI4KB
SCHEMBL18098495 0.74 DPP4 (0.31) DPP4
SCHEMBL17188728 0.72 DPP4 (0.44) DPP4
SCHEMBL18779110 0.72 DPP4 (0.44) DPP4
SCHEMBL25807330 0.72 CCR2 (0.31)

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-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 WO disclosed