SCHEMBL6566705

SCHEMBL6566705

CC(C)(C)CCOCCCN1CCCCC1.c1ccc(CCCOCCCN2CCCCC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.80
SLC6A2 P23975 2/20 0.60
HRH1 P35367 2/20 0.60
CHRM2 P08172 1/20 0.60
ADRA2C P18825 1/20 0.60
SLC6A4 P31645 1/20 0.60
SLC6A3 Q01959 1/20 0.60
KCNH2 Q12809 1/20 0.60
CACNA1C Q13936 1/20 0.60
SCN5A Q14524 1/20 0.60
SIGMAR1 Q99720 6/20 0.59
CHRM4 P08173 1/20 0.59
HTR2C P28335 1/20 0.59
HTR7 P34969 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
LTA4H P09960 1/20 0.52

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
SCHEMBL491655 0.89 HRH3 (1.00) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL492156 0.88 HRH3 (0.97) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL492227 0.83 HRH3 (0.49) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL6570265 0.82 HRH3 (0.84) HRH3SLC6A2HRH1CHRM2ADRA2C
Pitolisant SCHEMBL5487588 0.80 HRH3 (0.54) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL28671150 0.79 L3MBTL1 (0.50) HRH3
SCHEMBL2451795 0.78 HRH1 (0.74) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL18503164 0.77 TDP1 (0.53) HRH3SIGMAR1
SCHEMBL18503166 0.77 TDP1 (0.53) HRH3SIGMAR1
SCHEMBL18503253 0.77 TDP1 (0.53) HRH3SIGMAR1

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