SCHEMBL19953550

SCHEMBL19953550

CN1CCN([C@H](C=O)c2cccc(N)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.47
CHRM2 P08172 4/20 0.42
CHRM1 P11229 4/20 0.42
ADRA2A P08913 3/20 0.42
DRD1 P21728 3/20 0.42
DRD3 P35462 3/20 0.42
SLC6A3 Q01959 3/20 0.42
KCNH2 Q12809 3/20 0.42
CYP2D6 P10635 3/20 0.42
OPRM1 P35372 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
MC4R P32245 5/20 0.41

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
SCHEMBL15272244 0.86 CPN1 (0.36) ADRA2CKCNH2CYP2D6ALDH1A1TSHR
SCHEMBL3580010 0.82 SLC6A3 (0.42) CHRM2CHRM1ADRA2ADRD1DRD3
SCHEMBL3935389 0.81 KDM4E (0.44) ADRA2CCHRM2CHRM1ADRA2ADRD1
SCHEMBL13258519 0.81 CHRM1 (0.59) CHRM2CHRM1ADRA2ADRD1DRD3
SCHEMBL12066465 0.81 CHRM1 (0.59) CHRM2CHRM1ADRA2ADRD1DRD3
SCHEMBL5259902 0.79 ADRA2C (0.44) ADRA2CCHRM2CHRM1ADRA2ADRD1
SCHEMBL3585713 0.74 LIPG (0.36) CHRM2CHRM1ADRA2ADRD1DRD3
SCHEMBL27915911 0.73 ADRA2C (0.44) ADRA2CCHRM1MC4RCCR3
SCHEMBL15286386 0.72 ALDH1A1 (0.41) CHRM2CHRM1ADRA2ADRD1DRD3
SCHEMBL4765378 0.70 ADRA2C (0.41) ADRA2CDRD1DRD3KCNH2HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3510030-A1 8-(AZETIDIN-1-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2019-07-17 EP disclosed
WO-2018046409-A1 8-(AZETIDIN-1-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-03-15 WO disclosed