SCHEMBL8868639

SCHEMBL8868639

N#CCc1coc2ccc(C3CC3)cc12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
MTNR1A P48039 4/20 0.32
MTNR1B P49286 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM1A O60341 5/20 0.32
CYP2D6 P10635 1/20 0.32
HTR1A P08908 2/20 0.32
HTR1D P28221 2/20 0.32
HTR2C P28335 2/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
NQO2 P16083 1/20 0.31
ESR1 P03372 2/20 0.30
ESR2 Q92731 2/20 0.30

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
SCHEMBL8867009 0.77 HTR1A (0.37) MTNR1AMTNR1BMAPTSMN1; SMN2KDM1A
SCHEMBL7137898 0.75 THRB (0.46) ALDH1A1MAPTSMN1; SMN2KDM1A
SCHEMBL11342932 0.75 CYP2A6 (0.50) ALDH1A1HTR1AHTR1DHTR2C
SCHEMBL6613340 0.75 PTPN1 (0.43) KDM1AHTR1AHTR1DHTR2C
SCHEMBL8950321 0.75 CSNK2A1 (0.50) ALDH1A1MAPTSMN1; SMN2HTR1AHTR1D
SCHEMBL8168864 0.75 ESR2 (0.47) ALDH1A1LMNAMAPTHTR1AHTR1D
SCHEMBL7756353 0.73 TP53 (0.49) MTNR1AMAPTSMN1; SMN2KDM1A
SCHEMBL8161586 0.72 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1LMNAMAPT
SCHEMBL274259 0.71 MAOB (0.49) CYP2D6
SCHEMBL8869337 0.71 MTNR1A (0.55) MTNR1AMTNR1BMAPTSMN1; SMN2HTR1A

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-5703121-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1997-12-30 US disclosed