SCHEMBL6132579

SCHEMBL6132579

O=C1CCN(c2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TMEM97 Q5BJF2 9/20 0.56
SIGMAR1 Q99720 9/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
DRD1 P21728 1/20 0.56
HRH2 P25021 1/20 0.56
HTR1B P28222 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR1E P28566 1/20 0.56
SLC6A4 P31645 1/20 0.56
HRH1 P35367 1/20 0.56
HTR2B P41595 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54

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 0.89 NPSR1 (0.68) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL6132364 0.88 GAA (0.69) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL61861 0.87 KMT2A (0.66) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL12814257 0.85 MEN1 (0.60) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL19950156 0.85 MEN1 (0.60) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL894510 0.85 MEN1 (0.60) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL975238 0.85 NPSR1 (0.60) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL23627050 0.85 TMEM97 (0.55) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL8642538 0.84 MEN1 (0.59) MEN1KMT2ANPSR1TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL3934434 0.84 MEN1 (0.59) MEN1KMT2ANPSR1TMEM97SIGMAR1

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