SCHEMBL6152593

SCHEMBL6152593

O=C(/C=C/c1ccc(Cl)cc1)N[C@H]1CN2CCC1CC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.62
HTR3E A5X5Y0 1/20 0.62
HTR3B O95264 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
HTR3A P46098 1/20 0.62
HTR3D Q70Z44 1/20 0.62
HTR3C Q8WXA8 1/20 0.62
MAPK1 P28482 1/20 0.60
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC2 Q92769 1/20 0.47
LMNA P02545 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46

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
SCHEMBL5988208 1.00 CHRNA7 (0.62) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6153029 1.00 CHRNA7 (0.62) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL5988211 1.00 CHRNA7 (0.62) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL9412007 0.88 MMP1 (0.49) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL5986988 0.87 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL5986985 0.87 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6153275 0.87 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6152637 0.87 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6152576 0.87 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6152636 0.87 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233964-B1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-22 EP claimed
EP-1233964-B1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
US-6683090-B1 N-(1-AZABICYCLO(2.2.2)OCT-3-YL)PROPENAMIDE DERIVATIVES; PSYCHOTIC AND INTELLECTUAL IMPAIRMENT DISORDERS ASTRAZENECA AB (SE) 2004-01-27 US disclosed