SCHEMBL3945816

SCHEMBL3945816

O=C(O)NCCC1CCN(Cc2cccc(Cl)c2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.59
ACHE P22303 2/20 0.54
CHRM4 P08173 2/20 0.51
POLB P06746 2/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL3946467 0.88 ACHE (0.52) ACHECHRM4MAOAMAOB
SCHEMBL2972067 0.81 CXCR4 (0.49) CXCR4ACHECHRM4MAOAMAOB
SCHEMBL3937038 0.81 CHRM4 (0.52) ACHECHRM4MAOAMAOB
SCHEMBL3946396 0.81 ACHE (0.55) ACHECHRM4
SCHEMBL3940604 0.81 KCNH2 (0.52) ACHECHRM4
SCHEMBL3937725 0.81 MAOA (0.52) ACHECHRM4POLBMAOAMAOB
SCHEMBL3939238 0.79 CHRM4 (0.53) ACHECHRM4POLBMAOAMAOB
SCHEMBL3941799 0.79 CHRM4 (0.53) ACHECHRM4POLBMAOAMAOB
SCHEMBL3597886 0.78 CXCR4 (0.71) CXCR4POLBALDH1A1
SCHEMBL3937233 0.77 MEN1 (0.60) ACHEKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720550-B1 DERIVATIVES OF PIPERIDINYLALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2009-04-15 EP claimed
EP-1720550-B1 DERIVATIVES OF PIPERIDINYLALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2009-04-15 EP disclosed