SCHEMBL29101424

SCHEMBL29101424

CN(C)CCC(c1ccccc1)c1ccncc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.78
HTR2A P28223 6/20 0.78
SLC6A2 P23975 7/20 0.63
SLC6A4 P31645 7/20 0.63
CHRM2 P08172 5/20 0.63
SCN1A P35498 3/20 0.63
SCN2A Q99250 3/20 0.63
SCN3A Q9NY46 3/20 0.63
SLC6A3 Q01959 6/20 0.52
CHRM1 P11229 4/20 0.51
KCNH2 Q12809 4/20 0.51
HRH3 Q9Y5N1 4/20 0.51
ADRA2B P18089 3/20 0.51
LMNA P02545 2/20 0.51
CYP2D6 P10635 2/20 0.51
NFKB1 P19838 2/20 0.51
THPO P40225 2/20 0.51
DRD1 P21728 2/20 0.51
HTR2C P28335 2/20 0.51
TSHR P16473 2/20 0.51

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) HRH1HTR2ASLC6A2SLC6A4CHRM2
Hydrochloric Acid SCHEMBL11383046 0.86 HRH1 (0.95) HRH1HTR2ASLC6A2SLC6A4CHRM2
Tolpropamine SCHEMBL1651656 0.80 HRH1 (0.75) HRH1HTR2ASLC6A2SLC6A4CHRM2
Tolpropamine SCHEMBL29300 0.79 HRH1 (0.81) HRH1HTR2ASLC6A2SLC6A4CHRM2
SCHEMBL29173261 0.79 SLC6A2 (0.57) HRH1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL123538 0.78 SLC6A3 (0.61) HRH1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL10778672 0.78 HTR2A (0.78) HRH1HTR2ASLC6A2SLC6A4CHRM2
Tolpropamine SCHEMBL4193587 0.78 HRH1 (0.78) HRH1HTR2ASLC6A2SLC6A4CHRM2
Pheniramine SCHEMBL126153 0.77 CHRM2 (1.00) HRH1HTR2ASLC6A2SLC6A4CHRM2
Pheniramine SCHEMBL4796 0.77 CHRM2 (1.00) HRH1HTR2ASLC6A2SLC6A4CHRM2

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
CN-117003787-A Selective silicon-based-arylation method of olefin compound 南京大学 2023-11-07 CN disclosed