SCHEMBL14570528

SCHEMBL14570528

Clc1ccc2c(c1)COC1=C(CCC=C1)C2=C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 7/20 0.45
HTR2A P28223 6/20 0.45
HTR2C P28335 6/20 0.45
HRH1 P35367 4/20 0.45
HTR1A P08908 2/20 0.45
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
KCNH2 Q12809 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
ADRB2 P07550 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
ABCB1 P08183 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45

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
SCHEMBL13870474 0.74 HRH1 (0.53) HTR2BHTR2AHTR2CHRH1HTR1A
SCHEMBL12065131 0.70 HRH1 (0.51) HTR2BHTR2AHTR2CHRH1HTR1A
SCHEMBL13870569 0.68 HRH1 (0.43) HTR2BHTR2AHTR2CHRH1HTR1A
SCHEMBL6418027 0.65 HRH1 (0.54) HTR2BHTR2AHTR2CHRH1HTR1A
SCHEMBL6994690 0.64 HRH1 (0.71) HTR2BHTR2AHTR2CHRH1HTR1A
SCHEMBL6178576 0.63 HRH1 (0.73) HTR2BHTR2AHTR2CHRH1HTR1A
SCHEMBL6179271 0.63 HRH1 (0.67) HTR2BHTR2AHTR2CHRH1HTR1A
SCHEMBL6337294 0.63 HRH1 (0.57) HTR2BHTR2AHTR2CHRH1HTR1A
Desloratadine SCHEMBL29390260 0.62 HRH1 (1.00) HTR2BHTR2AHTR2CHRH1HTR1A
Desloratadine SCHEMBL29371361 0.62 HRH1 (1.00) HTR2BHTR2AHTR2CHRH1HTR1A

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-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed