SCHEMBL9249000

SCHEMBL9249000

Clc1ccc(CCCOCCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.64
HRH1 P35367 2/20 0.64
HRH3 Q9Y5N1 2/20 0.64
CHRM2 P08172 1/20 0.64
ADRA2C P18825 1/20 0.64
SLC6A4 P31645 1/20 0.64
SLC6A3 Q01959 1/20 0.64
KCNH2 Q12809 1/20 0.64
CACNA1C Q13936 1/20 0.64
SCN5A Q14524 1/20 0.64
CHRM4 P08173 1/20 0.62
HTR2C P28335 1/20 0.62
HTR7 P34969 1/20 0.62
TMEM97 Q5BJF2 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
TAAR1 Q96RJ0 2/20 0.50
IGF1R P08069 1/20 0.48
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL6905786 0.91 KCNH2 (0.56) SLC6A2HRH1HRH3CHRM2ADRA2C
SCHEMBL5700612 0.90 KCNH2 (0.55) SLC6A2HRH1HRH3CHRM2ADRA2C
SCHEMBL9154990 0.90 KCNH2 (0.55) SLC6A2HRH1HRH3CHRM2ADRA2C
SCHEMBL9021407 0.88 KCNH2 (0.54) SLC6A2HRH1HRH3CHRM2ADRA2C
SCHEMBL9021191 0.87 KCNH2 (0.53) SLC6A2HRH1HRH3CHRM2ADRA2C
SCHEMBL9021280 0.87 KCNH2 (0.53) SLC6A2HRH1HRH3CHRM2ADRA2C
SCHEMBL9021186 0.87 KCNH2 (0.53) SLC6A2HRH1HRH3CHRM2ADRA2C
SCHEMBL11228865 0.85 TAAR1 (0.54) SLC6A2HRH1HRH3CHRM2ADRA2C
SCHEMBL9021742 0.84 KCNH2 (0.50) SLC6A2HRH1HRH3CHRM2ADRA2C
SCHEMBL9020984 0.84 KCNH2 (0.50) SLC6A2HRH1HRH3CHRM2ADRA2C

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-5387726-A Selective catalytic hydrogenation of aromatic aldehydes DEGUSSA AKTIENGESELLSCHAFT (DE) 1995-02-07 US disclosed