SCHEMBL2722244

SCHEMBL2722244

O=C(O)CN1CCNCCN(CC(=O)OCC(O)CO)CCN(CC(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.37
CHRM3 P20309 2/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DGKA P23743 1/20 0.32
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL2722240 0.94 CHRM5 (0.41) CHRM5CHRM3KDM4ELMNADUSP3
SCHEMBL29808366 0.79 CHRM5 (0.39) CHRM5CHRM3HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL31365998 0.78 SIGMAR1 (0.43) CHRM5CHRM3KDM4EHSD17B10SIGMAR1
SCHEMBL29589277 0.77 CHRM5 (0.36) CHRM5CHRM3HSD17B10SMN1; SMN2SIGMAR1
SCHEMBL29299554 0.76 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1
SCHEMBL472213 0.76 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1
SCHEMBL306395 0.76 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1
SCHEMBL20179968 0.76 CHRM5 (0.50) CHRM5CHRM3LMNAMEN1KMT2A
SCHEMBL21695211 0.76 CHRM5 (0.50) CHRM5CHRM3LMNAMEN1KMT2A
SCHEMBL8038178 0.75 CHRM5 (0.48) CHRM5CHRM3HSD17B10SMN1; SMN2ALDH1A1

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-2635311-A1 CEST SYSTEMS EXHIBITING A CONCENTRATION INDEPENDENT RESPONSIVENESS Bracco Imaging S.p.A (IT) 2013-09-11 EP disclosed
WO-2012059576-A1 CEST SYSTEMS EXHIBITING A CONCENTRATION INDEPENDENT RESPONSIVENESS BRACCO IMAGING SPA (IT) 2012-05-10 WO disclosed