SCHEMBL6569763

SCHEMBL6569763

Clc1ccc(CCCC#CCN2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.54
HRH1 P35367 3/20 0.54
SLC6A2 P23975 2/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2C P18825 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54
CACNA1C Q13936 1/20 0.54
SCN5A Q14524 1/20 0.54
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
SIGMAR1 Q99720 2/20 0.52
CHRM4 P08173 1/20 0.52
HTR2C P28335 1/20 0.52
HTR7 P34969 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
MCHR1 Q99705 3/20 0.48
CHRM1 P11229 2/20 0.48
HTR2A P28223 2/20 0.48

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
SCHEMBL6570161 0.83 MAOB (0.48) HRH3SIGMAR1MAOB
SCHEMBL22561783 0.76 HRH3 (0.74) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL7982901 0.75 HRH3 (0.73) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL27689434 0.73 HRH3 (0.71) HRH3HRH1SLC6A2CHRM2ADRA2C
Hydrochloric Acid SCHEMBL7369873 0.73 HRH3 (0.73) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL14970774 0.71 ALDH1A1 (0.84) HRH3KDM4EALDH1A1LMNA
SCHEMBL1276590 0.70 ALDH1A1 (1.00) HRH3KDM4EALDH1A1SIGMAR1
SCHEMBL11227514 0.70 ALDH1A1 (1.00) HRH3KDM4EALDH1A1SIGMAR1
Pitolisant SCHEMBL117648 0.70 HRH3 (1.00) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL5487605 0.70 HRH3 (0.61) HRH3HRH1SLC6A2CHRM2ADRA2C

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