SCHEMBL3987646

SCHEMBL3987646

O=S(=O)(O)c1ccc(-c2ccc(CCN3CCCC3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.69
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ MBTD1 Q05BQ5 1/20 0.54
▸ L3MBTL3 Q96JM7 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ LSS P48449 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ KCNJ1 P48048 1/20 0.47

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
SCHEMBL8507022 0.92 HRH3 (0.55) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL18979056 0.83 HRH1 (0.62) HRH3SLC6A3SIGMAR1KCNH2
SCHEMBL27928479 0.80 HRH3 (0.60) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL3326933 0.80 HRH3 (0.67) HRH3L3MBTL1MBTD1SIGMAR1LSS
SCHEMBL14228422 0.80 HRH3 (0.58) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL7656308 0.77 HRH3 (0.69) HRH3KCNH2
SCHEMBL14228241 0.77 KCNH2 (0.55) HRH3L3MBTL1MBTD1L3MBTL3KCNH2
SCHEMBL25092863 0.76 HRH3 (0.89) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL7366528 0.76 HRH3 (0.85) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
Hydrochloric Acid SCHEMBL7675743 0.76 HRH3 (0.68) 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 disclosed
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 disclosed
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