SCHEMBL4530802

SCHEMBL4530802

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
HTR1A P08908 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C19 P33261 1/20 0.40
MGLL Q99685 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGDS O60760 1/20 0.38
HPGD P15428 3/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL4541177 0.95 LMNA (0.45) LMNAPTPN2PTPN1HTR1AHTR1B
SCHEMBL4533473 0.91 LMNA (0.40) LMNAHPGDCD274SLC6A2SLC6A4
SCHEMBL4538611 0.91 HPGD (0.42) LMNAPTPN2PTPN1HTR1AHTR1B
SCHEMBL13586043 0.90 NPY2R (0.43) LMNAPTPN2PTPN1HTR1AHTR1B
SCHEMBL4539513 0.90 POLB (0.44) LMNAPTPN2PTPN1HTR1AHTR1B
SCHEMBL13586061 0.89 MEN1 (0.49) LMNAPTPN2PTPN1ALDH1A1CYP2C19
SCHEMBL4358330 0.88 NAMPT (0.42) LMNAPTPN2PTPN1HTR1AHTR1B
SCHEMBL13586351 0.88 POLB (0.52) LMNAPTPN2PTPN1HTR1AHTR1B
SCHEMBL4535777 0.88 ALDH1A1 (0.44) LMNAPTPN2PTPN1HTR1AHTR1B
SCHEMBL13586060 0.88 SMN1; SMN2 (0.47) LMNAPTPN2PTPN1ALDH1A1CYP2C19

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