SCHEMBL7394262

SCHEMBL7394262

CCOC(=O)C1CCCN(CCCCCOc2ccccc2)C1.CCOC(=O)C1CCN(CCCCCOc2ccccc2)CC1.C[C@@H]1CCC[C@H](C)N1CCCCCOc1ccccc1.C[C@@H]1C[C@H](C)CN(CCCCCOc2ccccc2)C1.C[C@H]1C[C@H](C)CN(CCCCCOc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
KCNH2 Q12809 3/20 0.52
LTA4H P09960 1/20 0.51
HRH3 Q9Y5N1 9/20 0.50
HTR7 P34969 2/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL7394326 0.89 LTA4H (0.63) SIGMAR1KCNH2LTA4HHRH3KDM4E
SCHEMBL5281462 0.88 SIGMAR1 (0.63) SIGMAR1KCNH2LTA4HHRH3HTR7
SCHEMBL491545 0.85 SIGMAR1 (0.67) SIGMAR1HTR7HTR1ADRD2HTR2A
SCHEMBL8909943 0.84 ALDH1A1 (0.66) SIGMAR1HTR7HTR1ADRD2HTR2A
SCHEMBL8909936 0.84 ALDH1A1 (0.66) SIGMAR1HTR7HTR1ADRD2HTR2A
SCHEMBL5488691 0.81 HRH3 (0.56) HRH3
SCHEMBL492189 0.81 KCNH2 (0.71) SIGMAR1KCNH2LTA4HHRH3ALDH1A1
SCHEMBL5284021 0.81 LTA4H (0.54) LTA4HHRH3KDM4E
SCHEMBL8693251 0.78 ALDH1A1 (0.69) SIGMAR1LTA4HHTR7HTR1ADRD2
SCHEMBL8910535 0.78 ALDH1A1 (0.69) SIGMAR1LTA4HHTR7HTR1ADRD2

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-1100503-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2001-05-23 EP disclosed
WO-2000006254-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2000-02-10 WO disclosed