SCHEMBL5480169

SCHEMBL5480169

O=C(O)N1CCN(CCCc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.62
FAAH O00519 1/20 0.59
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CHRM3 P20309 1/20 0.52
HTR1A P08908 1/20 0.52
DRD4 P21917 1/20 0.52
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
OPRM1 P35372 1/20 0.52

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
SCHEMBL5484678 0.91 MEN1 (0.61) SIGMAR1FAAHCHRM3
SCHEMBL27564901 0.91 SIGMAR1 (0.73) SIGMAR1FAAHKDM4EALDH1A1CHRM3
SCHEMBL5489773 0.89 SIGMAR1 (0.53) SIGMAR1FAAHHRH1
SCHEMBL5475896 0.87 SIGMAR1 (0.58) SIGMAR1FAAHKDM4EALDH1A1
SCHEMBL5483514 0.87 MEN1 (0.60) SIGMAR1FAAH
SCHEMBL27564818 0.86 SIGMAR1 (0.76) SIGMAR1FAAHCHRM3
SCHEMBL5490036 0.82 MEN1 (0.55) SIGMAR1FAAHKDM4EALDH1A1DRD4
SCHEMBL5481589 0.82 SIGMAR1 (0.67) SIGMAR1FAAHDRD4
SCHEMBL2235689 0.81 FAAH (0.69) SIGMAR1FAAHKDM4EALDH1A1
SCHEMBL2927709 0.81 MEN1 (0.73) SIGMAR1FAAHCHRM3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720848-B1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2007-12-05 EP claimed
EP-1720848-B1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2007-12-05 EP disclosed
EP-1720848-A1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005090322-A1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 WO disclosed