SCHEMBL10778672

SCHEMBL10778672

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.78
HRH1 P35367 4/20 0.78
CHRM2 P08172 3/20 0.68
SLC6A2 P23975 3/20 0.68
SLC6A4 P31645 3/20 0.68
CHRM5 P08912 2/20 0.68
CHRM1 P11229 2/20 0.68
ADRA2B P18089 2/20 0.68
HRH2 P25021 2/20 0.68
SLC6A3 Q01959 2/20 0.68
KCNH2 Q12809 2/20 0.68
HRH3 Q9Y5N1 2/20 0.68
SCN1A P35498 2/20 0.68
SCN2A Q99250 2/20 0.68
SCN3A Q9NY46 2/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
TSHR P16473 1/20 0.68
NFKB1 P19838 1/20 0.68
THPO P40225 1/20 0.68

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 0.88 HRH1 (1.00) HTR2AHRH1CHRM2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11383046 0.86 HRH1 (0.95) HTR2AHRH1CHRM2SLC6A2SLC6A4
Chlorpheniramine SCHEMBL10622596 0.83 CHRM2 (0.97) HTR2AHRH1CHRM2SLC6A2SLC6A4
Tolpropamine SCHEMBL29300 0.83 HRH1 (0.81) HTR2AHRH1CHRM2SLC6A2SLC6A4
Tolpropamine SCHEMBL4193587 0.81 HRH1 (0.78) HTR2AHRH1CHRM2SLC6A2SLC6A4
Chlorpheniramine SCHEMBL4219 0.81 CHRM2 (1.00) HTR2AHRH1CHRM2SLC6A2SLC6A4
Chlorpheniramine SCHEMBL4220 0.81 CHRM2 (1.00) HTR2AHRH1CHRM2SLC6A2SLC6A4
Chlorpheniramine SCHEMBL20956397 0.81 CHRM2 (1.00) HTR2AHRH1CHRM2SLC6A2SLC6A4
Chlorpheniramine SCHEMBL29687335 0.81 CHRM2 (1.00) HTR2AHRH1CHRM2SLC6A2SLC6A4
Dexchlorpheniramine SCHEMBL3538 0.81 CHRM2 (1.00) HTR2AHRH1CHRM2SLC6A2SLC6A4

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-4639469-A RESPIRATORY ANALEPTIC CORVI MORA CAMILLO (IT) 1987-01-27 US disclosed