SCHEMBL3961811

SCHEMBL3961811

CC(C)(C)OC(=O)N1CCC(C2CCn3c(nc(-c4ccncc4)cc3=O)N2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.49
USP30 Q70CQ3 1/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.39
THRB P10828 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
SCHEMBL4476686 0.88 KDM4E (0.46) KDM4EALDH1A1HPGDNPSR1HTT
SCHEMBL3959225 0.86 CYP2C9 (0.37) KDM4EALDH1A1NPSR1
SCHEMBL3962773 0.82 GSK3B (0.43)
SCHEMBL3959200 0.74 GPR119 (0.43) GPR119USP30KDM4E
SCHEMBL4416230 0.71 LATS1 (0.43)
SCHEMBL4872195 0.71 GSK3B (0.41)
SCHEMBL2488011 0.70 GPR119 (0.50) GPR119USP30KDM4EALDH1A1HTT
SCHEMBL13046433 0.70 GSK3B (0.51) GPR119USP30
SCHEMBL2488299 0.70 USP30 (0.58) GPR119USP30
SCHEMBL2529679 0.70 GPR119 (0.50) GPR119USP30

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-2081938-A2 SUBSTITUTED 8-PIPERIDINYL-2-PYRIDINYL-PYRIMIDO Ý1,2-A¨PIRIMIDIN-6-ONE AND 8-PIPERIDINYL-2-PYRIMIDI NYL-PYRIMIDOÝ1,2,-A¨PYRIMIDIN-6-ONE DERIVATIVES Sanofi-Aventis (FR) 2009-07-29 EP disclosed
WO-2008056266-A2 SUBSTITUTED 8-PIPERIDINYL-2-PYRIDINYL-PYRIMIDO [1,2-A]PYRIMIDIN-6-ONE AND 8-PIPERIDINYL-2-PYRIMIDINYL-PYRIMIDO[1,2-A]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-05-15 WO disclosed