SCHEMBL4533479

SCHEMBL4533479

CC(C)(C)OC(=O)N1CCC(C2OCc3cc(-c4ccc(-c5nnn[nH]5)cc4)ccc3O2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
HTT P42858 1/20 0.40
GPR119 Q8TDV5 11/20 0.38
CRBN Q96SW2 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CHEK2 O96017 1/20 0.36
NAMPT P43490 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
SCHEMBL4358178 0.85 GPR119 (0.51) PTPN2PTPN1PTPN6GPR119
SCHEMBL4536702 0.83 GPR119 (0.49) PTPN2PTPN1PTPN6GPR119
SCHEMBL4353381 0.83 GPR119 (0.54) PTPN2PTPN1PTPN6GPR119CHEK2
SCHEMBL4353796 0.82 GPR119 (0.55) PTPN2PTPN1PTPN6GPR119
SCHEMBL4353589 0.81 PTPN2 (0.48) PTPN2PTPN1PTPN6GPR119NPC1
SCHEMBL4360506 0.81 GPR119 (0.47) PTPN2PTPN1PTPN6GPR119
SCHEMBL13586034 0.80 ABL1 (0.46) PTPN2PTPN1PTPN6GPR119CRBN
SCHEMBL4358492 0.80 GPR119 (0.53) PTPN2PTPN1PTPN6GPR119
SCHEMBL4531644 0.80 GPR119 (0.47) PTPN2PTPN1PTPN6GPR119KDM4E
SCHEMBL13586038 0.80 GPR119 (0.54) PTPN2PTPN1PTPN6GPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

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