SCHEMBL4642653

SCHEMBL4642653

C[C@H]1C[C@]1(N)COc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.51
CHRNA4 P43681 7/20 0.51
CHRNA3 P32297 3/20 0.46
CHRNA7 P36544 3/20 0.46
CHRNA1 P02708 2/20 0.46
CHRNB1 P11230 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNG P07510 1/20 0.46
CHRND Q07001 1/20 0.46
CHRNB3 Q05901 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
SCHEMBL3257619 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL3257621 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL3152719 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL4642585 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
Hydrochloric Acid SCHEMBL5109790 0.98 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
Hydrochloric Acid SCHEMBL5109188 0.98 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL3257677 0.84 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL4642427 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL4644563 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL4642547 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748043-B1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2008-08-20 EP claimed
US-7348344-B2 Polysubstituted 1,1-pyridyloxycyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2008-03-25 US claimed
EP-1748043-A1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2007-01-31 EP claimed
EP-1748043-B1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2008-08-20 EP disclosed
US-7348344-B2 Polysubstituted 1,1-pyridyloxycyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2008-03-25 US disclosed
EP-1748043-A1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2007-01-31 EP disclosed