SCHEMBL3950841

SCHEMBL3950841

O=CNCCCC1CCN(CCC2CCOCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
DRD2 P14416 13/20 0.36
HTR2A P28223 13/20 0.36
DRD3 P35462 13/20 0.36
PAOX Q6QHF9 1/20 0.33
BCHE P06276 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL3949394 0.94 ALDH1A1 (0.41) ALDH1A1GNAI3GNAO1GNAI1PAOX
SCHEMBL3950701 0.93 NAMPT (0.36) ALDH1A1GNAI3GNAO1GNAI1DRD2
SCHEMBL3954270 0.90 ALDH1A1 (0.45) ALDH1A1GNAI3GNAO1GNAI1DRD2
SCHEMBL3950776 0.88 ALDH1A1 (0.36) ALDH1A1GNAI3GNAO1GNAI1DRD2
SCHEMBL3947870 0.87 ALDH1A1 (0.45) ALDH1A1GNAI3GNAO1GNAI1PAOX
SCHEMBL3956155 0.84 DRD2 (0.35) ALDH1A1DRD2HTR2ADRD3
SCHEMBL3950617 0.82 ALDH1A1 (0.38) ALDH1A1GNAI3GNAO1GNAI1DRD2
SCHEMBL3955898 0.81 GNAO1 (0.48) GNAI3GNAO1GNAI1DRD2DRD3
SCHEMBL3949738 0.81 GNAI3 (0.42) GNAI3GNAO1GNAI1DRD2DRD3
SCHEMBL3950837 0.80 ALDH1A1 (0.39) ALDH1A1DRD2HTR2ADRD3

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