SCHEMBL6132577

SCHEMBL6132577

COCCCCOc1ccc(C2(O)CCN(c3ccc(N4CCN(C(=O)OCc5ccccc5)CC4)cc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 6/20 0.45
KDM4E B2RXH2 3/20 0.45
TMEM97 Q5BJF2 7/20 0.44
SIGMAR1 Q99720 7/20 0.44
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR1E P28566 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL14922733 0.86 MEN1 (0.52) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6538566 0.83 DRD2 (0.51) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL14922381 0.81 CHRM4 (0.50) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6133014 0.80 MAPT (0.48) ALDH1A1MAPTKDM4ETMEM97SIGMAR1
SCHEMBL751049 0.80 OPRD1 (0.53) MEN1KMT2AHRH3NPC1RAB9A
SCHEMBL8315425 0.79 OPRD1 (0.54) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL5702290 0.78 ALDH1A1 (0.47) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL751730 0.76 OPRD1 (0.47) MEN1KMT2AMAPTHRH2HRH1
SCHEMBL7556949 0.75 CHRM4 (0.61) MEN1KMT2ASIGMAR1NPC1RAB9A
SCHEMBL9727540 0.74 NPSR1 (0.68) MEN1KMT2ALMNAMAPTKDM4E

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