SCHEMBL3924062

SCHEMBL3924062

COCC1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1I

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CASP3 P42574 8/20 0.43
CASP7 P55210 7/20 0.43
CASP9 P55211 1/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GHSR Q92847 1/20 0.40
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
MMP7 P09237 2/20 0.39
MMP13 P45452 2/20 0.39
MMP9 P14780 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 1/20 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
SCHEMBL3925016 0.84 HCRTR1 (0.49) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL3913958 0.76 HCRTR1 (0.43) HCRTR1HCRTR2LMNAHTTGHSR
SCHEMBL27976149 0.75 HCRTR1 (0.50) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL27976150 0.75 HCRTR1 (0.50) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL18065225 0.73 PSEN1 (0.66) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL18065224 0.73 PSEN1 (0.66) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL12170345 0.72 PSEN1 (0.68) HCRTR1HCRTR2CASP3CASP7LMNA
SCHEMBL3115162 0.72 HCRTR1 (0.62) HCRTR1HCRTR2CASP3SMN1; SMN2GHSR
SCHEMBL15256571 0.72 CASP3 (0.64) KCNH2HRH3CASP3CASP7CASP9
SCHEMBL15800500 0.72 CASP3 (0.64) KCNH2HRH3CASP3CASP7CASP9

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