SCHEMBL8686398

SCHEMBL8686398

C=C(O)CN1CCNCC[N+]([SeH])(CC(=C)O)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
SIGMAR1 Q99720 2/20 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
SCHEMBL11854218 0.82 CHRM5 (0.42) CHRM5CHRM3SIGMAR1
SCHEMBL8524847 0.82 CHRM5 (0.42) CHRM5CHRM3SIGMAR1
SCHEMBL175840 0.82 CHRM5 (0.42) CHRM5CHRM3SIGMAR1
SCHEMBL7135906 0.80 CHRM5 (0.41) CHRM5CHRM3SIGMAR1
SCHEMBL8156231 0.80 SMN1; SMN2 (0.42) CHRM5CHRM3SIGMAR1
SCHEMBL15867652 0.73 CHRM5 (0.44) CHRM5CHRM3SIGMAR1
SCHEMBL14728217 0.69 CHRM5 (0.45) CHRM5CHRM3SIGMAR1
SCHEMBL7222024 0.67 CHRM5 (0.44) CHRM5CHRM3SIGMAR1
SCHEMBL11875598 0.66
SCHEMBL17085987 0.66 ALDH1A1 (0.55)

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
WO-1998055467-A1 PRODUCTION OF MONO AND 1,7-BIS-N-HYDROXYALKYL-CYCLENE AND LITHIUM SALT COMPLEXES SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-10 WO disclosed