SCHEMBL6152576

SCHEMBL6152576

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.47
CHRM3 P20309 3/20 0.47
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL6153275 1.00 CHRNA7 (0.51) CHRNA7KMT2AMEN1CHRM3CHRM2
SCHEMBL5986985 1.00 CHRNA7 (0.51) CHRNA7KMT2AMEN1CHRM3CHRM2
SCHEMBL5986988 1.00 CHRNA7 (0.51) CHRNA7KMT2AMEN1CHRM3CHRM2
SCHEMBL9412007 0.88 MMP1 (0.49) CHRNA7CHRM3CHRM2CHRM1SMN1; SMN2
SCHEMBL6152637 0.87 CHRNA7 (0.51) CHRNA7CHRM3CHRM2CHRM1SMN1; SMN2
SCHEMBL6152636 0.87 CHRNA7 (0.51) CHRNA7CHRM3CHRM2CHRM1SMN1; SMN2
SCHEMBL6152593 0.87 CHRNA7 (0.62) CHRNA7SMN1; SMN2HTR3EHTR3BALOX15
SCHEMBL6152751 0.87 CHRNA7 (0.51) CHRNA7CHRM3CHRM2CHRM1SMN1; SMN2
SCHEMBL6152749 0.87 CHRNA7 (0.51) CHRNA7CHRM3CHRM2CHRM1SMN1; SMN2
SCHEMBL5988208 0.87 CHRNA7 (0.62) CHRNA7SMN1; SMN2HTR3EHTR3BALOX15

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