SCHEMBL7397232

SCHEMBL7397232

BrCCCOc1ccccc1.O=C(CCCCCN1CCCCC1)c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.64
HRH4 Q9H3N8 3/20 0.63
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
HRH1 P35367 5/20 0.60
THRB P10828 4/20 0.60
HRH2 P25021 4/20 0.60
KCNH2 Q12809 3/20 0.60
LMNA P02545 2/20 0.60
CYP1A2 P05177 1/20 0.60
CHRM2 P08172 1/20 0.60
CHRM4 P08173 1/20 0.60
CHRM5 P08912 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
ADRA2C P18825 1/20 0.60
DRD4 P21917 1/20 0.60
ACHE P22303 1/20 0.60
SLC6A2 P23975 1/20 0.60

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
SCHEMBL492212 0.90 HRH3 (0.77) HRH3HRH4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7375128 0.85 ALDH1A1 (0.59) HRH3HRH4ALDH1A1KDM4EHRH1
Hydrochloric Acid SCHEMBL7372372 0.84 ALDH1A1 (0.60) HRH3HRH4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2834503 0.79 ALDH1A1 (0.79) ALDH1A1KDM4EHRH1LMNAHTR2A
SCHEMBL491776 0.79 HRH2 (0.83) HRH3ALDH1A1KDM4ESMN1; SMN2HRH1
SCHEMBL7369141 0.79 HRH4 (0.97) HRH3HRH4ALDH1A1KDM4EHRH1
SCHEMBL11937419 0.79 KDM4E (0.95) HRH3HRH4ALDH1A1KDM4ESMN1; SMN2
Oxalic Acid SCHEMBL5855932 0.78 KDM4E (0.86) HRH3HRH4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL491821 0.78 HRH4 (0.73) HRH3HRH4ALDH1A1KDM4ESMN1; SMN2
Oxalic Acid SCHEMBL27731873 0.78 KDM4E (0.97) HRH3HRH4ALDH1A1KDM4ESMN1; SMN2

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