SCHEMBL13586356

SCHEMBL13586356

C=C(C)CNC(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccccc4)CC2)O3)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
POLB P06746 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 3/20 0.38
HTR2B P41595 2/20 0.38
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
CYP2C19 P33261 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MGLL Q99685 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37

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
SCHEMBL4540400 0.92 GPR119 (0.35) SMN1; SMN2HTR1AGPR119MEN1KMT2A
SCHEMBL13586043 0.90 NPY2R (0.43) PTPN2PTPN1POLBALDH1A1SMN1; SMN2
SCHEMBL13586351 0.88 POLB (0.52) PTPN2PTPN1POLBALDH1A1SMN1; SMN2
SCHEMBL4530802 0.87 LMNA (0.51) PTPN2PTPN1POLBALDH1A1SMN1; SMN2
SCHEMBL13586060 0.87 SMN1; SMN2 (0.47) PTPN2PTPN1POLBALDH1A1SMN1; SMN2
SCHEMBL4352059 0.87 P2RY12 (0.41) ALDH1A1SMN1; SMN2GPR119
SCHEMBL4538611 0.87 HPGD (0.42) PTPN2PTPN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4539513 0.86 POLB (0.44) PTPN2PTPN1POLBALDH1A1SMN1; SMN2
SCHEMBL4358330 0.86 NAMPT (0.42) PTPN2PTPN1POLBALDH1A1SMN1; SMN2
SCHEMBL4541177 0.86 LMNA (0.45) PTPN2PTPN1POLBALDH1A1LMNA

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