SCHEMBL8645192

SCHEMBL8645192

O=C1O[C@@H](CO)CC1c1ccc(N2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TMEM97 Q5BJF2 9/20 0.45
SIGMAR1 Q99720 9/20 0.45
HTR1A P08908 3/20 0.45
HRH2 P25021 3/20 0.45
HRH1 P35367 3/20 0.45
HRH3 Q9Y5N1 3/20 0.45
ADRA2C P18825 2/20 0.45
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
DRD1 P21728 1/20 0.45
HTR1B P28222 1/20 0.45

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
SCHEMBL8645188 1.00 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8656896 0.91 MEN1 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8655145 0.87 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8654691 0.86 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8654687 0.86 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8657030 0.85 GRM5 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8642567 0.81 DRD4 (0.51) SMN1; SMN2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL9727540 0.77 NPSR1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6132364 0.76 GAA (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6132579 0.75 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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
EP-0858453-A1 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY AstraZeneca AB (SE) 1998-08-19 EP disclosed
WO-1997014690-A1 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZENECA LIMITED (GB) 1997-04-24 WO disclosed