SCHEMBL5480360

SCHEMBL5480360

O=C(O)N1CCN(CCCOc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
KCNA5 P22460 2/20 0.50
HTR1A P08908 1/20 0.50
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
DRD2 P14416 2/20 0.47
HTR2A P28223 1/20 0.47
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
TEAD3 Q99594 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL5486856 0.85 ALDH1A1 (0.69) POLBKCNA5HTR1AALDH1A1SMN1; SMN2
SCHEMBL5482274 0.85 L3MBTL1 (0.62) KCNA5HTR1AALDH1A1SMN1; SMN2KMT2A
SCHEMBL3985948 0.80 HRH3 (0.67) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL15349833 0.80 KDM4E (0.70) KCNA5HTR1AALDH1A1SMN1; SMN2DRD2
SCHEMBL5481509 0.79 DRD2 (0.67) KCNA5HTR1AALDH1A1DRD2HTR2A
SCHEMBL2177120 0.79 HRH2 (0.49) POLBALDH1A1HRH2HRH1
SCHEMBL5487159 0.77 TSHR (0.55) POLBKCNA5ALDH1A1SMN1; SMN2DRD2
SCHEMBL5480294 0.77 HPGD (0.61) POLBKCNA5ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5487964 0.76 DRD2 (0.51) KCNA5ALDH1A1SMN1; SMN2DRD2KMT2A
SCHEMBL20512386 0.76 POLB (0.48) POLBKCNA5HTR1AALDH1A1SMN1; SMN2

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-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