SCHEMBL6569758

SCHEMBL6569758

C#CC(CCCc1ccc(Cl)cc1)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.45
SLC6A2 P23975 3/20 0.45
HRH1 P35367 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2C P18825 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
CHRM4 P08173 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MCHR1 Q99705 3/20 0.40
CHRM1 P11229 2/20 0.40
HTR2A P28223 2/20 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
SCHEMBL6570156 0.84 SIGMAR1 (0.43) HRH3SIGMAR1MAOBNPC1RAB9A
SCHEMBL5487608 0.75 HRH3 (0.46) HRH3SLC6A2HRH1SLC6A4SLC6A3
SCHEMBL491563 0.73 HRH3 (0.57) HRH3SLC6A2HRH1SLC6A4SLC6A3
SCHEMBL28676989 0.72 HRH3 (0.43) HRH3SLC6A2HRH1SLC6A4SLC6A3
SCHEMBL6570120 0.69 L3MBTL1 (0.47) SIGMAR1ALDH1A1NPC1GAAHPGD
SCHEMBL6570100 0.69 SIGMAR1 (0.51) SIGMAR1ALDH1A1NPC1GAARAB9A
SCHEMBL10420233 0.69 HRH3 (0.46) HRH3SLC6A2HRH1SLC6A4SLC6A3
SCHEMBL491565 0.68 HRH3 (0.60) HRH3SLC6A2HRH1SLC6A4SLC6A3
SCHEMBL22458854 0.68 ALDH1A1 (0.41) SIGMAR1ALDH1A1KDM4ENPC1GAA
SCHEMBL22561783 0.67 HRH3 (0.74) HRH3SLC6A2HRH1SLC6A4SLC6A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100503-B1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ILE BIOPROJET SOC CIV (FR) 2004-09-22 EP claimed