SCHEMBL6132438

SCHEMBL6132438

O=C(OCc1ccccc1)N1CCN(c2ccc(N3CCC4(CC3)OCCO4)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TMEM97 Q5BJF2 7/20 0.51
SIGMAR1 Q99720 7/20 0.51
HRH1 P35367 2/20 0.51
HRH3 Q9Y5N1 2/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD1 P21728 1/20 0.51
HRH2 P25021 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1E P28566 1/20 0.51
SLC6A4 P31645 1/20 0.51
HTR2B P41595 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL2081641 0.89 MEN1 (0.66) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31198723 0.88 MEN1 (0.52) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL2080127 0.84 MEN1 (0.63) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9727540 0.84 NPSR1 (0.68) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL6132364 0.82 GAA (0.69) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL25762729 0.82 MEN1 (0.43) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL14131672 0.82 PRKDC (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL908529 0.82 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31628389 0.81 MEN1 (0.55) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL12814257 0.80 MEN1 (0.60) 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