SCHEMBL3947832

SCHEMBL3947832

[CH]1CCN(CCC2CCOCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.34
HTR2A P28223 13/20 0.34
DRD3 P35462 13/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3948297 0.89 ALDH1A1 (0.38) DRD2DRD3ALDH1A1
SCHEMBL3946753 0.89 PIM1 (0.32) DRD2HTR2ADRD3
SCHEMBL12397 0.82 CYP1A2 (0.42) DRD2HTR2ADRD3ALDH1A1
SCHEMBL6491696 0.80 CHRM3 (0.41)
SCHEMBL13062 0.80 CYP1A2 (0.46) ALDH1A1
SCHEMBL4820353 0.80 GBA1 (0.41) ALDH1A1
SCHEMBL3944903 0.79 S1PR5 (0.32) ALDH1A1
SCHEMBL3951154 0.78 DRD2 (0.37) DRD2HTR2ADRD3ALDH1A1
SCHEMBL3950179 0.78 DRD2 (0.35) DRD2HTR2ADRD3ALDH1A1
SCHEMBL8233850 0.77 ALDH1A1 (0.46) DRD2DRD3ALDH1A1

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