SCHEMBL4648116

SCHEMBL4648116

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.47
CHRNA4 P43681 6/20 0.47
CHRNA3 P32297 3/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNB1 P11230 1/20 0.38
CHRNB3 Q05901 1/20 0.38

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
SCHEMBL5119044 0.85 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4642745 0.85 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL5423921 0.85 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL5102976 0.84 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL6290174 0.82 CHRNB2 (0.41) CHRNB2CHRNA4
SCHEMBL4642840 0.76 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4642642 0.73 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4642488 0.73 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL5108285 0.72 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4646918 0.70 CHRNB2 (0.50) 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