SCHEMBL3949540

SCHEMBL3949540

[CH2]CC1CCN(CCCC2CCOC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KEAP1 Q14145 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3949506 0.89 ALDH1A1 (0.35) GNAO1CHRM2CHRM4CHRM5CHRM1
SCHEMBL3947080 0.85 KEAP1 (0.32) GNAO1ALDH1A1KEAP1SMN1; SMN2
SCHEMBL3954983 0.85 KEAP1 (0.32) ALDH1A1KEAP1SMN1; SMN2
SCHEMBL3947084 0.82 CARM1 (0.41) CHRM2CHRM1
SCHEMBL3957642 0.80 PAOX (0.35) GNAO1CHRM2CHRM1ALDH1A1KEAP1
SCHEMBL3949679 0.79 CHRM5 (0.38) GNAO1CHRM2CHRM4CHRM5CHRM1
SCHEMBL3949683 0.79 CHRM1 (0.33) GNAO1CHRM2CHRM4CHRM5CHRM1
SCHEMBL3946705 0.79 KEAP1 (0.32) ALDH1A1KEAP1SMN1; SMN2
SCHEMBL3944903 0.79 S1PR5 (0.32) ALDH1A1KEAP1SMN1; SMN2
SCHEMBL3950127 0.78 ALDH1A1 (0.32) ALDH1A1

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