SCHEMBL3948738

SCHEMBL3948738

[CH2]CCC1CCN(CCC)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 1/20 0.45
DRD2 P14416 5/20 0.42
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
HTR4 Q13639 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CHRM1 P11229 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM3 P20309 2/20 0.38
DRD4 P21917 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL7741719 0.85 GNAO1 (0.49) GNAO1DRD2EPHX1EPHX2HRH3
SCHEMBL3323819 0.83 GNAO1 (0.45) GNAO1DRD2HRH3CHRM1CHRM2
SCHEMBL31273549 0.83 GNAO1 (0.51) GNAO1DRD2HRH3CHRM1CHRM2
Fluoride SCHEMBL30330474 0.83 GNAO1 (0.47) GNAO1DRD2EPHX1EPHX2HRH3
SCHEMBL3955899 0.83 SMN1; SMN2 (0.45) GNAO1EPHX1EPHX2HTR4SMN1; SMN2
SCHEMBL31273564 0.83 GNAO1 (0.51) GNAO1DRD2HRH3CHRM1CHRM2
SCHEMBL771690 0.83 DRD2 (0.44) GNAO1DRD2EPHX1EPHX2
SCHEMBL5197870 0.81 GNAO1 (0.54) GNAO1DRD2HRH3CHRM1CHRM2
SCHEMBL25700795 0.81 GNAO1 (0.50) GNAO1DRD2EPHX1EPHX2SMN1; SMN2
SCHEMBL27512781 0.80 GNAO1 (0.50) GNAO1DRD2HRH3CHRM1CHRM2

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-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed