SCHEMBL2364848

SCHEMBL2364848

Cc1cc(OCCON2CCC(n3cnc4cccnc43)CC2)nn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.81
KCNH2 Q12809 2/20 0.49

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
SCHEMBL467246 0.89 SIGMAR1 (1.00) SIGMAR1KCNH2
Oxalic Acid SCHEMBL4513494 0.85 SIGMAR1 (0.91) SIGMAR1KCNH2
SCHEMBL4523328 0.70 SIGMAR1 (0.71) SIGMAR1KCNH2
SCHEMBL5136738 0.69 SIGMAR1 (0.71) SIGMAR1KCNH2
SCHEMBL8273600 0.67 SIGMAR1 (0.70) SIGMAR1KCNH2
SCHEMBL1896674 0.67 SIGMAR1 (0.74) SIGMAR1KCNH2
SCHEMBL467323 0.67 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL13896203 0.67 SIGMAR1 (0.62) SIGMAR1KCNH2
SCHEMBL467159 0.67 SIGMAR1 (0.77) SIGMAR1KCNH2
SCHEMBL3609774 0.67 SIGMAR1 (0.69) 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-2353598-A1 Sigma ligands for use in the prevention and/or treatment of postoperative pain Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-08-10 EP disclosed