SCHEMBL3947071

SCHEMBL3947071

C1CN(CCC2CCOCC2)CC[N]1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.34
DRD3 P35462 14/20 0.34
ALDH1A1 P00352 2/20 0.34
HTR2A P28223 13/20 0.34
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3R5 Q8WYR1 1/20 0.32
PIK3R3 Q92569 1/20 0.32
CYP1A2 P05177 1/20 0.32
KEAP1 Q14145 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3952586 0.89 ALDH1A1 (0.38) DRD2DRD3ALDH1A1CYP1A2KEAP1
SCHEMBL3955855 0.89 PIM1 (0.30)
SCHEMBL9431697 0.86 DRD2 (0.38) DRD2DRD3HTR2A
SCHEMBL12397 0.82 CYP1A2 (0.42) DRD2DRD3ALDH1A1HTR2ACYP1A2
SCHEMBL42023 0.80 CYP1A2 (0.41) CYP1A2
SCHEMBL13062 0.80 CYP1A2 (0.46) ALDH1A1CYP1A2
SCHEMBL3946705 0.79 KEAP1 (0.32) ALDH1A1KEAP1SMN1; SMN2
SCHEMBL3951154 0.78 DRD2 (0.37) DRD2DRD3ALDH1A1HTR2ACYP1A2
SCHEMBL3950179 0.78 DRD2 (0.35) DRD2DRD3ALDH1A1HTR2APIK3CD
SCHEMBL8233850 0.77 ALDH1A1 (0.46) DRD2DRD3ALDH1A1CYP1A2KEAP1

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