SCHEMBL3955898

SCHEMBL3955898

CCCN1CCC(CCCNC=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 5/20 0.48
GNAI3 P08754 4/20 0.48
GNAI1 P63096 4/20 0.48
ADH1B P00325 3/20 0.44
ADH1A P07327 3/20 0.44
ADH7 P40394 3/20 0.44
ADH1C P00326 2/20 0.44
EPHX1 P07099 2/20 0.43
ADH4 P08319 1/20 0.43
CHRM1 P11229 5/20 0.37
CHRM2 P08172 4/20 0.37
CHRM4 P08173 4/20 0.37
CHRM5 P08912 4/20 0.37
CHRM3 P20309 4/20 0.37
DRD2 P14416 3/20 0.37
DRD4 P21917 3/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL3947113 0.90 GNAO1 (0.47) GNAO1GNAI3GNAI1ADH1BADH1A
SCHEMBL4045148 0.87 ADH1B (0.42) GNAO1GNAI3GNAI1ADH1BADH1A
SCHEMBL3949738 0.84 GNAI3 (0.42) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL3950651 0.83 GNAI3 (0.41) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL3947070 0.82 GNAO1 (0.43) GNAO1GNAI3GNAI1EPHX1CHRM1
SCHEMBL3950841 0.81 ALDH1A1 (0.39) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL3949394 0.81 ALDH1A1 (0.41) GNAO1GNAI3GNAI1EPHX1CHRM1
SCHEMBL3950791 0.80 ADH1B (0.54) GNAO1GNAI3GNAI1ADH1BADH1A
SCHEMBL31273549 0.79 GNAO1 (0.51) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL31273564 0.79 GNAO1 (0.51) GNAO1GNAI3GNAI1CHRM1CHRM2

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