SCHEMBL4044985

SCHEMBL4044985

O=CCCCC1CCN(CCC2CCOC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.32
HTR2A P28223 12/20 0.32
DRD3 P35462 12/20 0.32
NAMPT P43490 1/20 0.31
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
PIM1 P11309 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL3949683 0.94 CHRM1 (0.33) DRD2DRD3NAMPTCHRM2CHRM4
SCHEMBL3956155 0.93 DRD2 (0.35) DRD2HTR2ADRD3ALDH1A1
SCHEMBL3950046 0.88 ALDH1A1 (0.32) DRD2HTR2ADRD3ALDH1A1
SCHEMBL3957675 0.87 ALDH1A1 (0.38) DRD2HTR2ADRD3CHRM2CHRM4
SCHEMBL3950127 0.85 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3950701 0.85 NAMPT (0.36) DRD2HTR2ADRD3NAMPTALDH1A1
SCHEMBL3956742 0.82 ALDH1A1 (0.39) DRD2HTR2ADRD3ALDH1A1
SCHEMBL4044981 0.80 CHRM2 (0.36) DRD2HTR2ADRD3CHRM2CHRM4
SCHEMBL3950776 0.80 ALDH1A1 (0.36) DRD2DRD3NAMPTCHRM2CHRM4
SCHEMBL3949506 0.78 ALDH1A1 (0.35) DRD2DRD3NAMPTCHRM2CHRM4

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