SCHEMBL8655145

SCHEMBL8655145

CC(=O)NC[C@H]1CC(c2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)cc2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TMEM97 Q5BJF2 8/20 0.43
SIGMAR1 Q99720 8/20 0.43
HRH1 P35367 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
HRH2 P25021 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
MAPT P10636 3/20 0.41

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
SCHEMBL8645192 0.87 MEN1 (0.48) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL8645188 0.87 MEN1 (0.48) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL8656896 0.86 MEN1 (0.47) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL8655361 0.84 HTR2A (0.46) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL8654687 0.83 MEN1 (0.43) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL8654691 0.83 MEN1 (0.43) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL8658395 0.80 MAOB (0.52) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL13855695 0.80 GFER (0.44) MEN1KMT2ANPSR1MAPTHTT
SCHEMBL7544832 0.77 MTNR1A (0.50) NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL10151525 0.76 MAOA (0.51) LMNA

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