SCHEMBL27670720

SCHEMBL27670720

CN(C)CC(C=O)(c1ccccc1)N(C)C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
KCNN4 O15554 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 5/20 0.35
DRD3 P35462 4/20 0.35
DRD4 P21917 3/20 0.35
DRD2 P14416 2/20 0.35
CYP2D6 P10635 5/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
TTR P02766 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 2/20 0.33
CYP3A4 P08684 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL8409650 0.74 KCNN4 (0.45) KDM4EKCNN4SMN1; SMN2OPRM1DRD3
SCHEMBL27883732 0.74 KDM4E (0.41) KDM4EKCNN4SMN1; SMN2OPRM1DRD3
SCHEMBL9130272 0.71 KCNN4 (0.56) KDM4EKCNN4SMN1; SMN2OPRM1DRD3
SCHEMBL2089267 0.70 KCNN4 (0.41) KDM4EKCNN4SMN1; SMN2OPRM1DRD3
SCHEMBL30076452 0.66 SMN1; SMN2 (0.50) KDM4EKCNN4SMN1; SMN2OPRM1DRD3
SCHEMBL8754588 0.66 KCNN4 (0.48) KDM4EKCNN4SMN1; SMN2OPRM1DRD3
SCHEMBL10781243 0.65 TAAR1 (0.54) KDM4EKCNN4SMN1; SMN2OPRM1DRD3
SCHEMBL23181154 0.63 KCNN4 (0.44) KDM4EKCNN4SMN1; SMN2OPRM1DRD3
SCHEMBL8660746 0.63 GRIN1 (0.54) KCNN4SMN1; SMN2OPRM1DRD3DRD4
SCHEMBL18969692 0.63 ALDH1A1 (0.50) KDM4EKCNN4SMN1; SMN2OPRM1DRD3

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-2329961-Y Optical waveguide ultramicro-fluorescent cell assembly CHANGCHUN PHYS INST CHINESE (CN) 1999-07-21 CN disclosed