SCHEMBL11382183

SCHEMBL11382183

CN(C)CCC(c1ccccc1)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.72
HTR2A P28223 7/20 0.72
CHRM2 P08172 6/20 0.51
SLC6A2 P23975 6/20 0.51
SLC6A4 P31645 6/20 0.51
SCN1A P35498 4/20 0.51
SCN2A Q99250 4/20 0.51
SCN3A Q9NY46 4/20 0.51
CHRNA7 P36544 1/20 0.46
CHRM1 P11229 5/20 0.46
SLC6A3 Q01959 5/20 0.46
KCNH2 Q12809 5/20 0.46
HRH3 Q9Y5N1 4/20 0.46
ADRA2B P18089 4/20 0.46
CYP2D6 P10635 3/20 0.46
THPO P40225 3/20 0.46
HTR2C P28335 3/20 0.46
CHRM5 P08912 3/20 0.46
HRH2 P25021 3/20 0.46
LMNA P02545 3/20 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
SCHEMBL1802493 0.85 HRH1 (1.00) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL11379245 0.85 HTR2A (0.50) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL11382925 0.83 SIGMAR1 (0.60) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL11379483 0.83 HRH1 (0.49) HRH1HTR2ACHRM2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11383046 0.83 HRH1 (0.95) HRH1HTR2ACHRM2SLC6A2SLC6A4
Tolpropamine SCHEMBL29300 0.80 HRH1 (0.81) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL11396852 0.80 HRH1 (0.62) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL11387932 0.79 HTR2A (0.53) HRH1HTR2ASLC6A4CHRNA7SIGMAR1
SCHEMBL11390029 0.79 HTR2A (0.53) HRH1HTR2ASLC6A4CHRNA7LMNA
SCHEMBL10778672 0.79 HTR2A (0.78) HRH1HTR2ACHRM2SLC6A2SLC6A4

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-4285961-A MICROBIOCIDES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-08-25 US disclosed