SCHEMBL3669028

SCHEMBL3669028

CCCCOC(=O)CN1CCNCCN(CC(=O)OCCCC)CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NAAA Q02083 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2323553 1.00 SIGMAR1 (0.51) SIGMAR1HRH2HRH1MEN1KMT2A
Hydrochloric Acid SCHEMBL30066251 0.98 SIGMAR1 (0.50) SIGMAR1HRH2HRH1MEN1KMT2A
SCHEMBL5724530 0.98 SIGMAR1 (0.50) SIGMAR1HRH2HRH1MEN1KMT2A
SCHEMBL19489977 0.97 SIGMAR1 (0.49) SIGMAR1HRH2HRH1MEN1KMT2A
SCHEMBL25260908 0.93 SIGMAR1 (0.46) SIGMAR1HRH2HRH1MEN1KMT2A
SCHEMBL15775872 0.93 SIGMAR1 (0.46) SIGMAR1HRH2HRH1MEN1KMT2A
SCHEMBL16317494 0.90 SIGMAR1 (0.44) SIGMAR1HRH2HRH1MEN1KMT2A
SCHEMBL6424590 0.90 SIGMAR1 (0.46) SIGMAR1HRH2HRH1MEN1KMT2A
SCHEMBL19489860 0.89 SIGMAR1 (0.45) SIGMAR1HRH2HRH1MEN1KMT2A
SCHEMBL19489937 0.89 SIGMAR1 (0.45) SIGMAR1HRH2HRH1MEN1KMT2A

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
EP-2155262-A2 COMPOSITIONS FOR TARGETED IMAGING AND THERAPY Radiomedix Inc. (US) 2010-02-24 EP disclosed
WO-2008119036-A2 COMPOSITIONS FOR TARGETED IMAGING AND THERAPY RADIOMEDIX INC. (US) 2008-10-02 WO disclosed