SCHEMBL6228643

SCHEMBL6228643

O=C(Nc1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2-c2ccccc2)C(C(=O)N2CCCCC2CO)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
SMO Q99835 3/20 0.41
CHRM3 P20309 7/20 0.39
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL4034991 0.91 GHSR (0.48) NPSR1
SCHEMBL31716758 0.72 GHSR (0.55) OPRM1OPRK1ALDH1A1HTTNPSR1
SCHEMBL16099440 0.71 ITGB3 (0.65) CHRM3HCRTR1HCRTR2ALDH1A1HTT
SCHEMBL31717173 0.68 MMP2 (0.51) OPRM1OPRK1HCRTR1HCRTR2ALDH1A1
SCHEMBL9517197 0.68 ALDH1A1 (0.56) SMOCHRM3ALDH1A1NPSR1
SCHEMBL4036984 0.66 ALDH1A1 (0.47) SMOALDH1A1HTT
SCHEMBL31716763 0.65 CASP3 (0.50) OPRM1OPRK1ALOX5APFEN1HCRTR1
SCHEMBL4032820 0.65 GAA (0.49) ALDH1A1
SCHEMBL3219561 0.65 OPRM1 (0.64) OPRM1OPRK1ALOX5APFEN1ALDH1A1
SCHEMBL1398849 0.64 ALOX5AP (0.58) OPRM1OPRK1ALOX5APFEN1HCRTR1

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
EP-1517925-B1 PROCESS FOR MAKING AMIDATED DE-ESTERIFIED PECTINS, THEIR COMPOSITION AND USES THEREOF CP KELCO APS (DK) 2017-10-18 EP disclosed
EP-1517925-A1 PROCESS FOR MAKING DE-ESTERIFIED PECTINS, THEIR COMPOSITION AND USES THEREOF CP Kelco ApS (DK) 2005-03-30 EP disclosed
WO-2004005352-A1 PROCESS FOR MAKING DE-ESTERIFIED PECTINS, THEIR COMPOSITION AND USES THEREOF CP KELCO APS (DK) 2004-01-15 WO disclosed