SCHEMBL9762755

SCHEMBL9762755

OCCCCCCOCCCc1ccc(N2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.46
SLC6A2 P23975 2/20 0.46
HRH1 P35367 2/20 0.46
KCNH2 Q12809 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CACNA1C Q13936 1/20 0.46
SCN5A Q14524 1/20 0.46
CHRM4 P08173 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
BCHE P06276 3/20 0.41
ACHE P22303 2/20 0.41

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
SCHEMBL10464040 0.99 HRH3 (0.48) HRH3SLC6A2HRH1KCNH2CHRM2
SCHEMBL9762919 0.85 HRH3 (0.46) HRH3SLC6A2HRH1KCNH2CHRM2
SCHEMBL10463990 0.84 HRH3 (0.48) HRH3SLC6A2HRH1KCNH2CHRM2
SCHEMBL10465456 0.84 HRH3 (0.47) HRH3SLC6A2HRH1KCNH2CHRM2
SCHEMBL10462962 0.81 FFAR4 (0.46) HRH3SLC6A2HRH1KCNH2CHRM2
SCHEMBL4809382 0.77 CHKA (0.51) HRH3L3MBTL3L3MBTL1BCHEACHE
SCHEMBL12676672 0.76 CHKA (0.53) HRH3L3MBTL3L3MBTL1BCHEACHE
SCHEMBL9763675 0.75 HRH3 (0.41) HRH3KCNH2HTR2CSIGMAR1
SCHEMBL20317448 0.74 MEN1 (0.45) L3MBTL1
SCHEMBL9763307 0.74 MAOB (0.46)

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
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed