SCHEMBL4358330

SCHEMBL4358330

O=C(NCC1(O)CC1)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccccc4)CC2)O3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
LMNA P02545 3/20 0.39
HTR1A P08908 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2C19 P33261 1/20 0.39
MGLL Q99685 1/20 0.38
POLB P06746 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
FASN P49327 3/20 0.37
GPR119 Q8TDV5 1/20 0.37
PKLR P30613 1/20 0.36
HPGD P15428 2/20 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
SCHEMBL4360517 0.91 NAMPT (0.41) NAMPTLMNAGPR119
SCHEMBL13586043 0.89 NPY2R (0.43) PTPN2PTPN1LMNAHTR1AHTR1B
SCHEMBL4530802 0.88 LMNA (0.51) PTPN2PTPN1LMNAHTR1AHTR1B
SCHEMBL13586351 0.87 POLB (0.52) NAMPTPTPN2PTPN1LMNAHTR1A
SCHEMBL4541177 0.87 LMNA (0.45) NAMPTPTPN2PTPN1LMNAHTR1A
SCHEMBL13586060 0.86 SMN1; SMN2 (0.47) PTPN2PTPN1LMNAALDH1A1CYP2C19
SCHEMBL13586356 0.86 PTPN2 (0.41) PTPN2PTPN1LMNAHTR1AHTR1B
SCHEMBL4538611 0.86 HPGD (0.42) PTPN2PTPN1LMNAHTR1AHTR1B
SCHEMBL4523985 0.86 KDM4E (0.41) NAMPTALDH1A1SMN1; SMN2GPR119
SCHEMBL13586061 0.85 MEN1 (0.49) PTPN2PTPN1LMNAALDH1A1CYP2C19

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