SCHEMBL13765617

SCHEMBL13765617

COC(=O)c1ccc(OCCCN2CCNCC[N@]3CCNCCNCC[N@@](CCNCCNCC3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 7/20 0.59
HRH1 P35367 7/20 0.59
KDM4E B2RXH2 3/20 0.55
DRD2 P14416 2/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.49
HRH3 Q9Y5N1 2/20 0.49
KCNH2 Q12809 1/20 0.49
EPHX2 P34913 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL13044318 1.00 HRH2 (0.59) HRH2HRH1KDM4EDRD2MAPT
SCHEMBL13044339 0.88 HRH2 (0.58) HRH2HRH1KDM4EDRD2MAPT
SCHEMBL13078381 0.86 HRH2 (0.57) HRH2HRH1KDM4EDRD2MAPT
Hydrochloric Acid SCHEMBL23247221 0.86 KDM4E (0.69) HRH2HRH1KDM4EDRD2MAPT
SCHEMBL31707039 0.84 KDM4E (0.61) HRH2HRH1KDM4EMAPTMEN1
SCHEMBL13765525 0.82 KDM4E (0.55) HRH2HRH1KDM4EDRD2MAPT
SCHEMBL2089311 0.81 KDM4E (0.78) HRH2HRH1KDM4EDRD2MAPT
SCHEMBL9200735 0.81 HRH3 (0.72) HRH2HRH1MAPTMEN1ALDH1A1
SCHEMBL27568839 0.81 HRH3 (0.55) HRH2HRH1KDM4EDRD2MAPT
SCHEMBL7250762 0.80 KDM4E (0.70) HRH2HRH1KDM4EDRD2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980221-B2 Fluoride processing method GE HEALTHCARE LIMITED (GB) 2015-03-17 US disclosed
WO-2009083530-A2 FLUORIDE PROCESSING METHOD GE HEALTHCARE LIMITED (GB) 2009-07-09 WO disclosed