SCHEMBL19239478

SCHEMBL19239478

CCN1CCNCCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
CHRM3 P20309 3/20 0.41
CHRM5 P08912 2/20 0.41
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HSD11B1 P28845 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL583320 0.94 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL1149470 0.94 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL14477648 0.93 SIGMAR1 (0.45) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL4771744 0.92 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL8209880 0.92 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Bromide SCHEMBL583318 0.92 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL649131 0.92 SIGMAR1 (0.50) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL4134315 0.92 SIGMAR1 (0.50) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL23320287 0.90 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL980555 0.90 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635311-B1 CEST SYSTEMS EXHIBITING A CONCENTRATION INDEPENDENT RESPONSIVENESS BRACCO IMAGING SPA (IT) 2017-08-16 EP disclosed