SCHEMBL4524446

SCHEMBL4524446

CCOC(=O)N1CCC(C2OCc3cc(-c4ccc(C(=O)N5CC(O)C5)cc4)ccc3O2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 3/20 0.38
KDM4E B2RXH2 1/20 0.38
SETD7 Q8WTS6 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
HTT P42858 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
SCHEMBL4356470 0.92 GPR119 (0.38) GPR119KMT2AMEN1CYP2C19SETD7
SCHEMBL4356808 0.90 SETD7 (0.45) GPR119KMT2AMEN1CYP2C19GAA
SCHEMBL4355169 0.89 PTPN2 (0.44) GPR119
SCHEMBL4360439 0.88 TSHR (0.44) GPR119KMT2AMEN1GAAHPGD
SCHEMBL4347885 0.87 GPR119 (0.37) GPR119KMT2AMEN1CYP2C19HPGD
SCHEMBL4523222 0.87 GPR119 (0.39) GPR119KMT2AMEN1CYP2C19GAA
SCHEMBL4534565 0.86 KDM4E (0.40) GPR119KMT2AGAAHPGDKDM4E
SCHEMBL13586029 0.86 PTPN2 (0.44) KMT2AMEN1CYP2C19HPGDALDH1A1
SCHEMBL4531625 0.86 ALDH1A1 (0.40) GAAKDM4ENPSR1ALDH1A1
SCHEMBL4349657 0.85 GPR119 (0.44) GPR119GAAKDM4ENPSR1ALDH1A1

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
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed