SCHEMBL28513178

SCHEMBL28513178

NC(=O)OC1CCN(CCCOc2ccc(Cl)c(F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 6/20 0.59
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HTR1A P08908 2/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 1/20 0.47
HRH1 P35367 1/20 0.46
CCR3 P51677 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
POLB P06746 1/20 0.44
HTR7 P34969 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL28676495 0.94 ATF4 (0.54) ATF4KDM4ESMN1; SMN2ALDH1A1HTR1A
SCHEMBL28619817 0.84 SIGMAR1 (0.62) HTR1ADRD2DRD1DRD5HTR2A
SCHEMBL28588174 0.84 ATF4 (0.57) ATF4HRH3
SCHEMBL24225679 0.83 ATF4 (0.57) ATF4KDM4ESMN1; SMN2ALDH1A1HTR1A
SCHEMBL28906765 0.82 ATF4 (0.61) ATF4HTR1AHRH1CCR3HTR7
SCHEMBL28906768 0.81 ATF4 (0.60) ATF4SMN1; SMN2HTR1APOLB
Trifluoroacetic Acid SCHEMBL21050217 0.81 ATF4 (0.57) ATF4KDM4ESMN1; SMN2ALDH1A1HRH1
SCHEMBL21050128 0.80 ATF4 (0.61) ATF4KDM4ESMN1; SMN2ALDH1A1HRH3
SCHEMBL5709501 0.79 LTA4H (0.55) SMN1; SMN2HTR1ADRD2DRD1DRD5
SCHEMBL28587516 0.79 ATF4 (0.72) ATF4

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
CN-111757739-A Integrated stress pathway inhibitors 普拉西斯生物技术有限责任公司 2020-10-09 CN disclosed