SCHEMBL8273600

SCHEMBL8273600

Cc1cc(OCCI)nn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.70
KCNH2 Q12809 3/20 0.67

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
SCHEMBL4523328 0.88 SIGMAR1 (0.71) SIGMAR1KCNH2
SCHEMBL1896674 0.86 SIGMAR1 (0.74) SIGMAR1KCNH2
SCHEMBL3609774 0.85 SIGMAR1 (0.69) SIGMAR1KCNH2
SCHEMBL12967803 0.84 SIGMAR1 (0.71) SIGMAR1KCNH2
SCHEMBL5134609 0.83 SIGMAR1 (0.65) SIGMAR1KCNH2
SCHEMBL467356 0.82 SIGMAR1 (1.00) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1895444 0.81 SIGMAR1 (0.98) SIGMAR1KCNH2
SCHEMBL467323 0.81 SIGMAR1 (1.00) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1897332 0.80 SIGMAR1 (0.98) SIGMAR1KCNH2
SCHEMBL467027 0.80 SIGMAR1 (1.00) 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
WO-2006021462-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 WO disclosed