SCHEMBL6570205

SCHEMBL6570205

O=C(CCC1CCCC1)NCCCN1CCCC1.O=C(Cl)CCC1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
SIGMAR1 Q99720 3/20 0.49
HRH3 Q9Y5N1 3/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAD52 P43351 1/20 0.42
CYP3A4 P08684 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL491722 0.93 ALDH1A1 (0.80) ALDH1A1SIGMAR1HRH3MEN1KMT2A
SCHEMBL14004380 0.81 ALDH1A1 (0.62) ALDH1A1SIGMAR1HRH3RAD52MAPT
SCHEMBL10724053 0.81 ALDH1A1 (0.69) ALDH1A1SIGMAR1HRH3RAD52TP53
SCHEMBL14004378 0.78 ALDH1A1 (0.58) ALDH1A1SIGMAR1HRH3MEN1KMT2A
SCHEMBL7522076 0.76 ALDH1A1 (0.56) ALDH1A1SIGMAR1MEN1KMT2AL3MBTL1
SCHEMBL20016275 0.74 ALDH1A1 (0.58) ALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL11027232 0.73 SMN1; SMN2 (0.54) ALDH1A1HRH3CYP3A4TP53CYP1A2
SCHEMBL279341 0.72 HPGD (0.50) ALDH1A1MEN1KMT2ATP53TDP1
SCHEMBL16353594 0.72 SMN1; SMN2 (0.59) ALDH1A1HRH3MEN1KMT2ACYP3A4
SCHEMBL5612839 0.72 ALDH1A1 (0.57) ALDH1A1SIGMAR1MEN1KMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1428820-A1 Non-imidazole alkylamines as histamine H-3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2004-06-16 EP disclosed
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