SCHEMBL3634618

SCHEMBL3634618

COCCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCCC3(C)I)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.60
HRH3 Q9Y5N1 7/20 0.60

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
SCHEMBL4011219 0.95 KCNH2 (0.58) KCNH2HRH3
Fumaric Acid SCHEMBL3635098 0.93 KCNH2 (0.53) KCNH2HRH3
SCHEMBL4019237 0.85 KCNH2 (0.42) KCNH2HRH3
SCHEMBL4011082 0.81 KCNH2 (0.47) KCNH2HRH3
SCHEMBL12863267 0.80 HRH3 (0.69) KCNH2HRH3
SCHEMBL13168396 0.77 KCNH2 (0.64) KCNH2HRH3
SCHEMBL1128396 0.75 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1128120 0.75 KCNH2 (1.00) KCNH2HRH3
Hydrochloric Acid SCHEMBL1141464 0.74 KCNH2 (0.98) KCNH2HRH3
Hydrochloric Acid SCHEMBL1141460 0.74 KCNH2 (0.98) KCNH2HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155668-A2 CRYSTALLINE FORMS OF (R)-1-{2-Ý4'- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL¨-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
WO-2008153958-A2 CRYSTALLINE FORMS OF (R)-1-{2-[4'- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL]-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-12-18 WO disclosed