SCHEMBL5205550

SCHEMBL5205550

COC(=O)C1C[C@H](OC(=O)c2ccccc2)CN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CHRNA7 P36544 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
MAPT P10636 1/20 0.42
MAOA P21397 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SCN3A Q9NY46 1/20 0.42
MMP2 P08253 1/20 0.42
APOBEC3A P31941 1/20 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
SCHEMBL3549930 1.00 HTR3E (0.45) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL6586331 0.86 MMP2 (0.41) KMT2ASLC6A2SLC6A4SLC6A3MMP2
SCHEMBL3832522 0.86 MMP2 (0.41) KMT2ASLC6A2SLC6A4SLC6A3MMP2
SCHEMBL3544176 0.85 MMP2 (0.40) KMT2ASLC6A2SLC6A4SLC6A3MMP2
SCHEMBL5202136 0.85 MMP2 (0.40) KMT2ASLC6A2SLC6A4SLC6A3MMP2
SCHEMBL10865791 0.81 HTR3E (0.53) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL29276109 0.81 MMP2 (0.45) MEN1KMT2AMAPTMMP2
SCHEMBL29276107 0.81 MMP2 (0.45) MEN1KMT2AMAPTMMP2
SCHEMBL30214730 0.81 MMP2 (0.45) MEN1KMT2AMAPTMMP2
SCHEMBL992573 0.80 KCNN4 (0.43) KMT2ASLC6A2SLC6A4SLC6A3MMP2

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-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 WO disclosed