SCHEMBL3914577

SCHEMBL3914577

CC1CCCN1CCc1cc(S(=O)(=O)O)ccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.53
▸ KCNH2 Q12809 7/20 0.52

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
SCHEMBL3987022 0.86 KCNH2 (0.63) HRH3KCNH2
SCHEMBL27829506 0.81 HRH3 (0.51) HRH3
SCHEMBL28794109 0.77 HRH3 (0.46) HRH3
SCHEMBL14842018 0.75 CA2 (0.40) —
SCHEMBL3635471 0.75 KCNH2 (0.79) HRH3KCNH2
SCHEMBL3923696 0.75 KCNH2 (0.79) HRH3KCNH2
Water SCHEMBL14842096 0.74 CA2 (0.40) —
SCHEMBL27755329 0.73 TSHR (0.40) —
SCHEMBL1141444 0.72 HRH3 (0.74) HRH3KCNH2
SCHEMBL1141441 0.72 HRH3 (0.74) HRH3KCNH2

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-2035372-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-03-18 — — EP claimed
WO-2008005338-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 — — WO claimed
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