SCHEMBL3950651

SCHEMBL3950651

O=CNCCCC1CCN(CCCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
CHRM4 P08173 9/20 0.40
CHRM2 P08172 8/20 0.40
CHRM5 P08912 8/20 0.40
CHRM1 P11229 8/20 0.40
CHRM3 P20309 8/20 0.40
DRD2 P14416 4/20 0.40
DRD4 P21917 4/20 0.40
DRD3 P35462 3/20 0.40
TMEM97 Q5BJF2 2/20 0.36
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
SLC6A5 Q9Y345 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CCR3 P51677 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34

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
SCHEMBL3949738 0.92 GNAI3 (0.42) GNAI3GNAO1GNAI1CHRM4CHRM2
SCHEMBL3948572 0.92 GNAO1 (0.42) GNAI3GNAO1GNAI1CHRM4CHRM2
SCHEMBL3955898 0.83 GNAO1 (0.48) GNAI3GNAO1GNAI1CHRM4CHRM2
SCHEMBL3955872 0.83 GNAI3 (0.41) GNAI3GNAO1GNAI1CHRM4CHRM2
SCHEMBL3947168 0.83 CHRM1 (0.42) GNAO1CHRM4CHRM2CHRM5CHRM1
SCHEMBL3949394 0.82 ALDH1A1 (0.41) GNAI3GNAO1GNAI1CHRM4CHRM2
SCHEMBL3949507 0.82 ADH1B (0.39) GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL3950912 0.81 CHRM1 (0.40) GNAO1CHRM4CHRM2CHRM5CHRM1
SCHEMBL4045148 0.80 ADH1B (0.42) GNAI3GNAO1GNAI1CHRM4CHRM2
SCHEMBL3950841 0.79 ALDH1A1 (0.39) GNAI3GNAO1GNAI1CHRM4CHRM2

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