SCHEMBL9709697

SCHEMBL9709697

[CH2]CN(Cc1ccccc1)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.64
ADRA2A P08913 3/20 0.64
DRD1 P21728 3/20 0.64
SLC6A4 P31645 3/20 0.64
SLC6A3 Q01959 3/20 0.64
KCNH2 Q12809 3/20 0.64
SLC6A2 P23975 2/20 0.64
ADRA1A P35348 2/20 0.64
HTR2A P28223 2/20 0.64
HRH1 P35367 2/20 0.64
ADRA2B P18089 1/20 0.64
ADRA2C P18825 1/20 0.64
OPRK1 P41145 1/20 0.64
KDM4E B2RXH2 4/20 0.62
LMNA P02545 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPK1 P28482 1/20 0.62
ALDH1A1 P00352 5/20 0.51
TSHR P16473 3/20 0.50
CYP2D6 P10635 3/20 0.50

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
SCHEMBL28590382 0.89 CHRM2 (0.72) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL9709954 0.87 CHRM2 (0.50) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL9709964 0.87 SSTR4 (0.50) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL7289564 0.87 CYP2D6 (0.68) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL7095181 0.79 CHRM2 (0.69) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL11700168 0.79 CHRM2 (0.69) CHRM2ADRA2ADRD1SLC6A4SLC6A3
Tripelennamine SCHEMBL17970 0.78 CHRM2 (1.00) CHRM2ADRA2ADRD1SLC6A4SLC6A3
Tripelennamine SCHEMBL29600775 0.78 CHRM2 (1.00) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL5609247 0.77 ALDH1A1 (0.57) CHRM2ADRA2ADRD1SLC6A4SLC6A3
Tripelennamine SCHEMBL98916 0.77 KDM4E (1.00) CHRM2ADRA2ADRD1SLC6A4SLC6A3

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
WO-1992022295-A1 USE OF GUANIDINE DERIVATIVES IN THE PREPARATION OF A DRUG FOR THE TREATMENT OF SEPSIS AND SEPSIS-LIKE CONDITIONS AND SEPTIC SHOCK NEUGEBAUER EDMUND (DE) 1992-12-23 WO claimed