SCHEMBL1897665

SCHEMBL1897665

Cc1c(OCCCN2CCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1C.Cc1c(OCCN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1C.Clc1ccc(-n2ccc(OCCCCN3CCOCC3)n2)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.71
KCNH2 Q12809 1/20 0.55

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
SCHEMBL20608309 0.84 SIGMAR1 (0.77) SIGMAR1KCNH2
SCHEMBL466975 0.84 SIGMAR1 (1.00) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1897658 0.83 SIGMAR1 (0.98) SIGMAR1KCNH2
SCHEMBL467188 0.83 SIGMAR1 (1.00) SIGMAR1
Hydrochloric Acid SCHEMBL1899735 0.82 SIGMAR1 (0.98) SIGMAR1
SCHEMBL467097 0.82 SIGMAR1 (0.73) SIGMAR1KCNH2
SCHEMBL467432 0.82 SIGMAR1 (0.80) SIGMAR1KCNH2
SCHEMBL1895436 0.81 SIGMAR1 (0.50) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1893896 0.81 SIGMAR1 (0.72) SIGMAR1KCNH2
SCHEMBL466986 0.81 SIGMAR1 (0.82) SIGMAR1KCNH2

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-2325174-A1 Sigma receptor inhibitors Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-05-25 EP claimed