SCHEMBL3956282

SCHEMBL3956282

O=CCCC1CCN(CCO)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.39
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 6/20 0.34
CHRM4 P08173 6/20 0.34
CHRM5 P08912 6/20 0.34
CHRM1 P11229 6/20 0.34
CHRM3 P20309 6/20 0.34
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
DRD3 P35462 3/20 0.34
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
ACHE P22303 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL3950912 0.89 CHRM1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3956952 0.89 CHRM1 (0.38) SLC18A3KDM4EALDH1A1CHRM2CHRM4
SCHEMBL3956166 0.81 GNAO1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3955872 0.81 GNAI3 (0.41) SLC18A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL3947168 0.81 CHRM1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1318049 0.80 SLC18A3 (0.46) SLC18A3KDM4EALDH1A1CHRM2CHRM4
SCHEMBL3954095 0.79 SLC18A3 (0.42) SLC18A3KDM4EALDH1A1CHRM2CHRM4
SCHEMBL4293849 0.79 SLC18A3 (0.42) SLC18A3KDM4EALDH1A1CHRM2CHRM4
SCHEMBL3949738 0.78 GNAI3 (0.42) SLC18A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL706462 0.78 SLC18A3 (0.44) SLC18A3KDM4EALDH1A1CHRM2CHRM4

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