SCHEMBL4044981

SCHEMBL4044981

O=[C]CCCC1CCN(CCC2CCOC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 11/20 0.36
CHRM4 P08173 11/20 0.36
CHRM5 P08912 11/20 0.36
CHRM1 P11229 11/20 0.36
CHRM3 P20309 11/20 0.36
DRD2 P14416 10/20 0.34
DRD3 P35462 10/20 0.34
DRD4 P21917 7/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR2A P28223 3/20 0.31
ALDH1A1 P00352 1/20 0.31
PIM1 P11309 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
SCHEMBL3949679 0.94 CHRM5 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3956154 0.93 CYP1A2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3950039 0.88 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3957672 0.87 CYP1A2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3950123 0.85 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3950698 0.82 ALDH1A1 (0.34) DRD2DRD3DRD4HTR2AALDH1A1
SCHEMBL3956741 0.82 ALDH1A1 (0.39) DRD2DRD3HTR2AALDH1A1
SCHEMBL4044985 0.80 DRD2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3956360 0.79 DRD2 (0.31) DRD2DRD3HTR2APIM1
SCHEMBL3949506 0.78 ALDH1A1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3

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