SCHEMBL28511016

SCHEMBL28511016

NC(=O)OC1CCN(CC(O)COc2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.59
KCNH2 Q12809 4/20 0.59
CACNA1G O43497 2/20 0.59
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
DRD2 P14416 3/20 0.55
DRD3 P35462 3/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HTR7 P34969 1/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL28906765 0.85 ATF4 (0.61) KCNH2CACNA1GHTR7TSHR
SCHEMBL20854558 0.83 KCNH2 (0.67) DRD4KCNH2CACNA1GLMNAMAPK1
SCHEMBL11365346 0.81 KCNH2 (0.86) DRD4KCNH2CACNA1GLMNAMAPK1
SCHEMBL5709502 0.81 SIGMAR1 (0.60) KMT2AMEN1DRD2DRD3
SCHEMBL11370338 0.81 KCNH2 (0.68) KCNH2CACNA1GLMNAMAPK1KMT2A
SCHEMBL28619817 0.80 SIGMAR1 (0.62) KMT2AMEN1DRD2DRD3
SCHEMBL21062177 0.79 DRD4 (0.62) DRD4KCNH2CACNA1GLMNAMAPK1
SCHEMBL21050207 0.79 DRD4 (0.62) DRD4KCNH2CACNA1GLMNAMAPK1
SCHEMBL28664562 0.79 ATF4 (0.56) KCNH2CACNA1GHTR7TSHR
Trifluoroacetic Acid SCHEMBL21050185 0.79 DRD4 (0.59) DRD4KCNH2CACNA1GLMNAMAPK1

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