SCHEMBL27677989

SCHEMBL27677989

C[C](C)CN1CCCCC(O)(c2ccc(F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.42
HTR1A P08908 3/20 0.42
HTR2A P28223 3/20 0.42
HRH1 P35367 3/20 0.42
DRD3 P35462 3/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
HSD11B1 P28845 1/20 0.40
TSHR P16473 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38

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
SCHEMBL27677888 0.84 SMN1; SMN2 (0.54) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL8751528 0.74 KDM4E (0.56) DRD2DRD3DRD4OPRM1OPRD1
SCHEMBL6154699 0.73 OPRM1 (0.50) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL22795419 0.72 OPRM1 (0.52) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL22795478 0.72 OPRM1 (0.52) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL22795479 0.72 OPRM1 (0.52) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL11648759 0.71 SLC6A3 (0.52) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL27769463 0.70 SMN1; SMN2 (0.41) DRD2DRD3DRD4SMN1; SMN2LMNA
SCHEMBL18306930 0.69 OPRM1 (0.50) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL28844970 0.69 SLC6A3 (0.44) DRD2HTR1AHTR2AHRH1DRD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1972916-B Cinnamide compounds EISAI R&D MAN CO LTD 2013-03-27 CN disclosed
CN-101723900-B Cinnamide compounds EISAI R&D MAN CO LTD 2012-08-22 CN disclosed
CN-101723900-A Cinnamide compounds EISAI R&D MAN CO LTD 2010-06-09 CN disclosed
CN-1972916-A Cinnamide compounds EISAI R&D MAN CO LTD (JP) 2007-05-30 CN disclosed