SCHEMBL19669166

SCHEMBL19669166

CCCC(C)(C)CCCC(=O)CC1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.44
GNAO1 P09471 4/20 0.44
GNAI1 P63096 4/20 0.44
CHRM1 P11229 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD4 P21917 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33
NCF1 P14598 1/20 0.33
KEAP1 Q14145 2/20 0.31
NFE2L2 Q16236 2/20 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
SCHEMBL11923446 0.85 GNAI3 (0.41) GNAI3GNAO1GNAI1NCF1KEAP1
SCHEMBL20113022 0.84 GNAI3 (0.42) GNAI3GNAO1GNAI1NCF1KEAP1
SCHEMBL15759102 0.83 GNAI3 (0.51) GNAI3GNAO1GNAI1NCF1KEAP1
SCHEMBL11928089 0.82 GNAI3 (0.57) GNAI3GNAO1GNAI1NCF1
SCHEMBL26707223 0.76 GNAO1 (0.43) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL18502834 0.72 NCF1 (0.45) GNAI3GNAO1GNAI1HTR1ANCF1
SCHEMBL12817476 0.72 GNAI3 (0.57) GNAI3GNAO1GNAI1CHRM1CHRM2
SCHEMBL23951464 0.71 NCF1 (0.43) GNAI3GNAO1GNAI1NCF1
SCHEMBL8899241 0.70 ALDH1A1 (0.39)
SCHEMBL19169454 0.68 NCF1 (0.43) GNAI3GNAO1GNAI1NCF1KEAP1

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
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed