SCHEMBL8505444

SCHEMBL8505444

O=C(O)CN1CCNCCN(CC(=O)O)C(CC(O)COCC(O)CO)CN(CC(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL8477836 0.81
SCHEMBL8478646 0.80 MAPT (0.39)
SCHEMBL8477764 0.80 MAPT (0.41)
SCHEMBL7264621 0.80 SIGMAR1 (0.37) CHRM5CHRM3
SCHEMBL8482399 0.79 KDM4E (0.41)
SCHEMBL8478346 0.78 KDM1A (0.41)
SCHEMBL8478317 0.77 ITGB3 (0.41)
SCHEMBL8482595 0.76 S1PR1 (0.37)
SCHEMBL5800349 0.76 SIGMAR1 (0.38) CHRM5CHRM3
SCHEMBL2722244 0.74 CHRM5 (0.37) CHRM5CHRM3

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
US-5876698-A Macrocyclic polymer complexing agents, their complexes, process for their production and pharmaceutical agents containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-02 US disclosed