SCHEMBL4011082

SCHEMBL4011082

CC1(I)CCCN1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.47
KCNJ1 P48048 1/20 0.47
HRH3 Q9Y5N1 5/20 0.41
PTGS2 P35354 2/20 0.39

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
SCHEMBL4019237 0.89 KCNH2 (0.42) KCNH2HRH3
SCHEMBL4011219 0.84 KCNH2 (0.58) KCNH2HRH3
SCHEMBL3634618 0.81 KCNH2 (0.60) KCNH2HRH3
SCHEMBL3790904 0.77 SIGMAR1 (0.41) HRH3
Fumaric Acid SCHEMBL3635098 0.75 KCNH2 (0.53) KCNH2HRH3
SCHEMBL1939632 0.69 KCNH2 (0.79) KCNH2HRH3
SCHEMBL1939182 0.69 KCNH2 (0.79) KCNH2HRH3
SCHEMBL27974591 0.68 HTT (0.42) KCNH2KCNJ1PTGS2
SCHEMBL10300269 0.63 PTGS2 (0.62) PTGS2
SCHEMBL7677302 0.63 PTGS2 (0.62) PTGS2

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-2074086-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-07-01 EP disclosed
WO-2008048609-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-04-24 WO disclosed