SCHEMBL6132364

SCHEMBL6132364

O=C(OCc1ccccc1)N1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.69
MAPT P10636 3/20 0.69
KDM4E B2RXH2 2/20 0.69
LMNA P02545 2/20 0.69
ME2 P23368 4/20 0.66
ME1 P48163 4/20 0.66
ME3 Q16798 4/20 0.66
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
TMEM97 Q5BJF2 3/20 0.59
SIGMAR1 Q99720 3/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
DRD1 P21728 1/20 0.59
HRH2 P25021 1/20 0.59
HTR1B P28222 1/20 0.59
HTR2A P28223 1/20 0.59

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
SCHEMBL9727540 0.93 NPSR1 (0.68) GAAMAPTKDM4ELMNAME2
SCHEMBL19950156 0.89 MEN1 (0.60) GAAMAPTKDM4ELMNAME2
SCHEMBL894510 0.89 MEN1 (0.60) GAAMAPTKDM4ELMNAME2
SCHEMBL975238 0.89 NPSR1 (0.60) GAAMAPTKDM4ELMNAME2
SCHEMBL12814257 0.89 MEN1 (0.60) GAAMAPTKDM4ELMNAME2
SCHEMBL6132579 0.88 MEN1 (0.59) GAAMAPTKDM4ELMNAME2
Hydrochloric Acid SCHEMBL3934434 0.88 MEN1 (0.59) GAAMAPTKDM4ELMNAME2
SCHEMBL8642538 0.88 MEN1 (0.59) GAAMAPTKDM4ELMNAME2
SCHEMBL11889651 0.87 MAPT (0.65) GAAMAPTKDM4ELMNAME2
SCHEMBL23201166 0.87 CA1 (0.58) GAAMAPTKDM4ELMNAME2

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
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed