SCHEMBL4642840

SCHEMBL4642840

C[C@@H]1C[C@@]1(COc1ccc(Cl)nc1)NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.45
CHRNA4 P43681 5/20 0.45
CHRNA3 P32297 3/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNB1 P11230 1/20 0.39
CHRNB3 Q05901 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5425468 0.85 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL5432128 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4642542 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4646918 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL5109777 0.81 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4648116 0.76 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4642488 0.74 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4642642 0.74 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL5108285 0.72 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4642745 0.72 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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-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